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      "body": "\n\n# <center>Atomic And Molecular Clusters</center> \n <hr> \n\n### [Compound-tunable embedding potential method and its application to  fersmite crystal](http://arxiv.org/abs/1907.06947v1) (1907.06947v1)\n<b>D. A. Maltsev, Yu. V. Lomachuk, V. M. Shakhova, N. S. Mosyagin, L. V. Skripnikov, A. V. Titov</b>\n\n<i>2019-07-16</i>\n> Compound-tunable embedding potential (CTEP) method is proposed. A fragment of some chemical compound, \"main cluster\" in the present paper, is limited by boundary anions such that the nearest environmental atoms are cations. The CTEP method is based on constructing the embedding potential as linear combination of short-range \"electron-free\" spherical \"tunable\" pseudopotentials for cations from nearest environment of the main cluster, whereas the long-range CTEP part consists of Coulomb potentials from optimized fractional point charges centered on both environmental cations and anions.   A pilot application of the CTEP method to the fersmite crystal, CaNb![](http://latex2png.com/output//latex_4223ec05912b994c2067ff9b6a5e0098.png)O![](http://latex2png.com/output//latex_3a0093e35830ba34df3125bdb2e2c8df.png), is performed and a remarkable agreement of the electronic density and interatomic distances within the fragment with those of the original periodic crystal calculation is attained. Characteristics of \"atoms-in-compounds\" which are of great importance for compound of ![](http://latex2png.com/output//latex_ea72e29a9a4c9e3003c9b16af8d348fa.png)- and ![](http://latex2png.com/output//latex_1074f36f338aecfb026d39bf4c338cdb.png)-elements (Nb in fersmite) are considered on examples of chemical shifts of ![](http://latex2png.com/output//latex_32dc586f4a52bc3e59e4c7d77946ff0e.png) and ![](http://latex2png.com/output//latex_0062cd6d1c5828d01136f6092e47c3ef.png) lines of X-ray emission spectra in niobium. A very promising potential of this approach in studying variety of properties of point defects containing ![](http://latex2png.com/output//latex_ea72e29a9a4c9e3003c9b16af8d348fa.png)- and heavy ![](http://latex2png.com/output//latex_1074f36f338aecfb026d39bf4c338cdb.png)-elements with relativistic effects, extended basis set and broken crystal symmetry considered is discussed.\n\n### [Setting the photoelectron clock through molecular alignment](http://arxiv.org/abs/1802.06622v2) (1802.06622v2)\n<b>Andrea Trabattoni, Joss Wiese, Umberto De Giovannini, Jean François Olivieri, Terry Mullins, Jolijn Onvlee, Sang-Kil Son, Biagio Frusteri, Angel Rubio, Sebastian Trippel, Jochen Küpper</b>\n\n<i>2018-02-19</i>\n> The interaction of strong laser fields with matter intrinsically provides powerful tools to image transient dynamics with an extremely high spatiotemporal resolution. In strong-field physics, the initial conditions of this interaction are generally considered a weak perturbation. We investigated strong-field ionisation of laser-aligned molecules and showed, for the first time, a full real-time picture of the photoelectron dynamics in the combined action of the laser field and the molecular interaction. We demonstrated that the molecule defines the initial conditions of the photoelectron at birth and has a dramatic impact on the overall strong-field recollision dynamics: it sets the clock for the emission of electrons with a given rescattering kinetic energy. This result represents a new benchmark for the seminal statements of molecular-frame strong-field physics. Our findings have strong impact on the interpretation of self-diffraction experiments, where the photoelectron momentum distribution is used to retrieve molecular structures. Furthermore, the resulting encoding of the time-energy relation in molecular-frame photoelectron distributions shows the way of probing the molecular potential in real-time and accessing a deeper understanding of electron transport during strong-field interactions.\n\n### [Electron capture and ionization cross-section calculations for proton  collisions from methane and the DNA and RNA nucleobases](http://arxiv.org/abs/1907.06708v1) (1907.06708v1)\n<b>Hans Juergen Luedde, Marko Horbatsch, Tom Kirchner</b>\n\n<i>2019-07-15</i>\n> Net ionization and net capture cross-section calculations are presented for proton collisions from methane molecules and the DNA/RNA nucleobases adenine, cytosine, guanine, thymine, and uracil. We use the recently introduced independent-atom-model pixel counting method to calculate these cross sections in the 10 keV to 10 MeV impact energy range and compare them with results obtained from the simpler additivity rule, a previously used complete-neglect-of-differential-overlap method, and with experimental data and previous calculations where available. It is found that all theoretical results agree reasonably well at high energies, but deviate significantly in the low-to-intermediate energy range. In particular, the pixel counting method which takes the geometrical overlap of atomic cross sections into account is the only calculation that is able to describe the measurements for capture in proton-methane collisions down to 10 keV impact energy. For the nucleobases it also yields a significantly smaller cross section in this region than the other models. New measurements are urgently required to test this prediction.\n\n### [The most stable isomer of H![](http://latex2png.com/output//latex_4223ec05912b994c2067ff9b6a5e0098.png)C![](http://latex2png.com/output//latex_2e757c53af43d8c65cb5fbd37e777963.png)-(OCS)![](http://latex2png.com/output//latex_4223ec05912b994c2067ff9b6a5e0098.png) van der Waals complex:  Theory and experiment agree on a structure with C2 symmetry](http://arxiv.org/abs/1907.05822v1) (1907.05822v1)\n<b>A. J. Barclay, A. Pietropolli Charmet, N. Moazzen-Ahmadi</b>\n\n<i>2019-07-12</i>\n> We report the infrared spectrum of H![](http://latex2png.com/output//latex_4223ec05912b994c2067ff9b6a5e0098.png)C![](http://latex2png.com/output//latex_2e757c53af43d8c65cb5fbd37e777963.png)-(OCS)![](http://latex2png.com/output//latex_4223ec05912b994c2067ff9b6a5e0098.png) trimer in the region of the nu1 fundamental vibration of the OCS monomer. The van der Waals complexes are generated in a supersonic slit-jet apparatus and probed using a rapid-scan tunable diode laser. Both H![](http://latex2png.com/output//latex_4223ec05912b994c2067ff9b6a5e0098.png)C![](http://latex2png.com/output//latex_2e757c53af43d8c65cb5fbd37e777963.png)-(OCS)![](http://latex2png.com/output//latex_4223ec05912b994c2067ff9b6a5e0098.png) and D![](http://latex2png.com/output//latex_4223ec05912b994c2067ff9b6a5e0098.png)C![](http://latex2png.com/output//latex_2e757c53af43d8c65cb5fbd37e777963.png)-(OCS)![](http://latex2png.com/output//latex_4223ec05912b994c2067ff9b6a5e0098.png) are studied. Analysis of their spectra establishes that the trimer has C![](http://latex2png.com/output//latex_4223ec05912b994c2067ff9b6a5e0098.png) point group symmetry. Theoretical calculations performed to find stationary points on the potential energy surface confirm that the observed structure is the most stable form. The experimental rotational parameters are in very good agreement with those computed using double hybrid functionals.\n\n### [Photoemission from hybrid states of Cl@![](http://latex2png.com/output//latex_5729463bc0c4e7671fca08ffd65052f5.png) before and after a  stabilizing charge transfer](http://arxiv.org/abs/1907.04881v1) (1907.04881v1)\n<b>Dakota Shields, Ruma De, Mohamed El-Amine Madjet, Steven T. Manson, Himadri S. Chakraborty</b>\n\n<i>2019-07-10</i>\n> Photoionization calculations of the endofullerene molecule Cl@![](http://latex2png.com/output//latex_5729463bc0c4e7671fca08ffd65052f5.png) with an open-shell chlorine atom are performed in the time-dependent local density approximation (TDLDA) based on a spherical jellium model. Cross sections for atom-fullerene hybrid photoemission studied show the effects of the hybridization symmetry, the giant plasmon and the molecular cavity. Comparisons with the results of Ar@![](http://latex2png.com/output//latex_5729463bc0c4e7671fca08ffd65052f5.png) provide insights in the role of a shell-closing electron and its influence on the dynamics. The results for Cl@![](http://latex2png.com/output//latex_5729463bc0c4e7671fca08ffd65052f5.png) are further compared with those of a more stable, lower energy configuration that results after a ![](http://latex2png.com/output//latex_5729463bc0c4e7671fca08ffd65052f5.png) electron transfers to Cl forming Cl![](http://latex2png.com/output//latex_3db7472b2dff59a7a3b040ffb618bf6b.png)@![](http://latex2png.com/output//latex_ee916313db48bce2d6ae0419cf2ba985.png). This comparison reveals noticeable differences in the ionization properties of the antibonding hybrid state while the bonding hybrid remains nearly unaltered showing a magnification covering the entire giant plasmon energy range.\n\n### [Far-from-equilibrium dynamics of angular momentum in a quantum  many-particle system](http://arxiv.org/abs/1906.12238v2) (1906.12238v2)\n<b>Igor N. Cherepanov, Giacomo Bighin, Lars Christiansen, Anders Vestergaard Jørgensen, Richard Schmidt, Henrik Stapelfeldt, Mikhail Lemeshko</b>\n\n<i>2019-06-28</i>\n> We use laser-induced rotation of single molecules embedded in superfluid helium nanodroplets to reveal angular momentum dynamics and transfer in a controlled setting, under far-from-equilibrium conditions. As an unexpected result, we observe pronounced oscillations of time-dependent molecular alignment that have no counterpart in gas-phase molecules. Angulon theory reveals that these oscillations originate from the unique rotational structure of molecules in He droplets and quantum-state-specific transfer of rotational angular momentum to the many-body He environment on picosecond timescales. Our results pave the way to understanding collective effects of macroscopic angular momentum exchange in solid state systems in a bottom-up fashion.\n\n### [Pure Molecular Beam of Water Dimer](http://arxiv.org/abs/1904.08716v3) (1904.08716v3)\n<b>Helen Bieker, Jolijn Onvlee, Melby Johny, Lanhai He, Thomas Kierspel, Sebastian Trippel, Daniel A. Horke, Jochen Küpper</b>\n\n<i>2019-04-18</i>\n> Spatial separation of water dimer from water monomer and larger water-clusters through the electric deflector is presented. A beam of water dimer with ![](http://latex2png.com/output//latex_ca61ddd9b1f998e5374b4bc81ae29786.png) purity and a rotational temperature of ![](http://latex2png.com/output//latex_ec607a9f4fcada01f32410593914ce03.png)K was obtained. Following strong-field ionization using a ![](http://latex2png.com/output//latex_caab544be60cc49c4cb71474ecd4f4c4.png)fs laser pulse with a wavelength centered around ![](http://latex2png.com/output//latex_19035da93dd43f06de7a4b460492ee5a.png)nm and a peak intensity of ![](http://latex2png.com/output//latex_48ebbc4187b01af0a3ded434f1d02102.png) we observed proton transfer and ![](http://latex2png.com/output//latex_0d797493abbe903dd36673e46d03ba7f.png) of the ionized water dimer broke apart into a hydronium ion ![](http://latex2png.com/output//latex_1a62eade47618c1bcb2ba1bf3e089b71.png) and neutral OH.\n\n### [Structure determination of the tetracene dimer in helium nanodroplets  using femtosecond strong-field ionization](http://arxiv.org/abs/1907.03168v1) (1907.03168v1)\n<b>Constant Schouder, Adam S. Chatterley, Florent Calvo, Lars Christiansen, Henrik Stapelfeldt</b>\n\n<i>2019-07-06</i>\n> Dimers of tetracene molecules are formed inside helium nanodroplets and identified through covariance analysis of the emission directions of kinetic tetracene cations stemming from femtosecond laser-induced Coulomb explosion. Next, the dimers are aligned in either one or three dimensions under field-free conditions by a nonresonant, moderately intense laser pulse. The experimental angular covariance maps of the tetracene ions are compared to calculated covariance maps for seven different dimer conformations and found to be consistent with four of these. Additional measurements of the alignment-dependent strong-field ionization yield of the dimer narrows the possible conformations down to either a slipped-parallel or parallel-slightly-rotated structure. According to our quantum chemistry calculations, these are the two most stable gas-phase conformations of the dimer and one of them is favorable for singlet fission.\n\n### [Electronic structure of 3![](http://latex2png.com/output//latex_1074f36f338aecfb026d39bf4c338cdb.png)-transition-metal monoxide anions from ![](http://latex2png.com/output//latex_bfa22ce313d442bc6109d20d446fc94a.png)  calculations: ScO![](http://latex2png.com/output//latex_912cb8c2f72b9c2d544cbe2bbe262ad4.png), TiO![](http://latex2png.com/output//latex_912cb8c2f72b9c2d544cbe2bbe262ad4.png), CuO![](http://latex2png.com/output//latex_912cb8c2f72b9c2d544cbe2bbe262ad4.png), and ZnO![](http://latex2png.com/output//latex_912cb8c2f72b9c2d544cbe2bbe262ad4.png)](http://arxiv.org/abs/1907.02181v1) (1907.02181v1)\n<b>Young-Moo Byun, Serdar Öğüt</b>\n\n<i>2019-07-04</i>\n> The ![](http://latex2png.com/output//latex_bfa22ce313d442bc6109d20d446fc94a.png) approximation to many-body perturbation theory is a reliable tool for describing charged electronic excitations, and it has been successfully applied to a wide range of extended systems for several decades using a plane-wave basis. However, the ![](http://latex2png.com/output//latex_bfa22ce313d442bc6109d20d446fc94a.png) approximation has been used to test limited spectral properties of a limited set of finite systems (e.g. frontier orbital energies of closed-shell ![](http://latex2png.com/output//latex_abf8b8704071eddfeadd0ffa3c0d35b9.png) molecules) only for about a decade using a local-orbital basis. Here, we calculate the quasiparticle spectra of closed- and open-shell molecular anions with partially and completely filled 3![](http://latex2png.com/output//latex_1074f36f338aecfb026d39bf4c338cdb.png) shells (i.e. with shallow and deep 3![](http://latex2png.com/output//latex_1074f36f338aecfb026d39bf4c338cdb.png) states), ScO![](http://latex2png.com/output//latex_912cb8c2f72b9c2d544cbe2bbe262ad4.png), TiO![](http://latex2png.com/output//latex_912cb8c2f72b9c2d544cbe2bbe262ad4.png), CuO![](http://latex2png.com/output//latex_912cb8c2f72b9c2d544cbe2bbe262ad4.png), and ZnO![](http://latex2png.com/output//latex_912cb8c2f72b9c2d544cbe2bbe262ad4.png), using various levels of ![](http://latex2png.com/output//latex_bfa22ce313d442bc6109d20d446fc94a.png) theory, and compare them to experiments to evaluate the performance of the ![](http://latex2png.com/output//latex_bfa22ce313d442bc6109d20d446fc94a.png) approximation on the electronic structure of small molecules containing 3![](http://latex2png.com/output//latex_1074f36f338aecfb026d39bf4c338cdb.png) transition metals. We find that the ![](http://latex2png.com/output//latex_96b1247b8e11515b9d3ef5ffe46a0a95.png)-only eigenvalue-only self-consistent ![](http://latex2png.com/output//latex_bfa22ce313d442bc6109d20d446fc94a.png) scheme with ![](http://latex2png.com/output//latex_18c0c1f38ea799215bdbb8acae5d3708.png) fixed to the PBE level (![](http://latex2png.com/output//latex_2ce001b9b97f62745e15244f0b7d2d6c.png)@PBE), which gives the best compromise between accuracy and efficiency for solids, also gives good results for both localized (![](http://latex2png.com/output//latex_1074f36f338aecfb026d39bf4c338cdb.png)) and delocalized (![](http://latex2png.com/output//latex_abf8b8704071eddfeadd0ffa3c0d35b9.png)) states of transition metal oxide molecules. The success of ![](http://latex2png.com/output//latex_2ce001b9b97f62745e15244f0b7d2d6c.png)@PBE in predicting electronic excitations in these systems reasonably well is likely due to the fortuitous cancellation effect between the overscreening of the Coulomb interaction by PBE and the underscreening by the neglect of vertex corrections. Together with the absence of the self-consistent field convergence error (e.g. due to spin contamination in open-shell systems) and the ![](http://latex2png.com/output//latex_bfa22ce313d442bc6109d20d446fc94a.png) multi-solution issue, the ![](http://latex2png.com/output//latex_2ce001b9b97f62745e15244f0b7d2d6c.png)@PBE scheme gives the possibility to predict the electronic structure of complex real systems (e.g. molecule-solid and ![](http://latex2png.com/output//latex_abf8b8704071eddfeadd0ffa3c0d35b9.png)-![](http://latex2png.com/output//latex_1074f36f338aecfb026d39bf4c338cdb.png) hybrid systems) accurately and efficiently.\n\n### [Reexamination of Tolman's law and the Gibbs adsorption equation for  curved interfaces](http://arxiv.org/abs/1703.08719v2) (1703.08719v2)\n<b>Martin Thomas Horsch, Stefan Becker, Michaela Heier, Jayant Kumar Singh, Felix Diewald, Ralf Müller, George Jackson, Jadran Vrabec, Hans Hasse</b>\n\n<i>2017-03-25</i>\n> In manuscript arXiv:1703.08719 [cond-mat.soft], it was claimed that the well-known deduction of Tolman's law is not rigorous, since Tolman's argument implies that two different definitions of the surface tension, called ![](http://latex2png.com/output//latex_03b3d3c34db979f91f61324978833de2.png) and ![](http://latex2png.com/output//latex_e0a5da2bd07a662ae936e62337b81e25.png) in the manuscript, coincide. This claim is retracted as it can be shown by free-energy minimization that ![](http://latex2png.com/output//latex_0a7c5e2c31f3bd0dd90cefa1e0559456.png) indeed holds for the Laplace radius. Joachim Gro\\ss, Philipp Rehner, Carlos Vega, \\O{}ivind Wilhelmsen, and the anonymous reviewers of The Journal of Chemical Physics contributed to finding the mistake in the manuscript.\n\n <br><hr> <center>Keeping updated in the latest research in atomic and molecular clusters!<br>https://cdn.steemitimages.com/DQmdFumnivXHMvLbaX5nwM5C25xz78ihBCE7kaukfJv4DMn/image.png<br></center>",
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      "body": "\n\n# <center>Atomic Physics</center> \n <hr> \n\n### [Near-100 % two-photon-like coincidence-visibility dip with classical  light and the role of complementarity](http://arxiv.org/abs/1810.01297v3) (1810.01297v3)\n<b>Simanraj Sadana, Debadrita Ghosh, Kaushik Joarder, A. Naga Lakshmi, Barry C. Sanders, Urbasi Sinha</b>\n\n<i>2018-10-02</i>\n> The Hong-Ou-Mandel effect is considered a signature of the quantumness of light, as the dip in coincidence probability using semi-classical theories has an upper bound of 50%. Here we show, theoretically and experimentally, that, with proper phase control of the signals, classical pulses can mimic a Hong-Ou-Mandel-like dip. We demonstrate a dip of 99.635 +/- 0.002% with classical microwave fields. Quantumness manifests in wave-particle complementarity of the two-photon state. We construct quantum and classical interferometers for the complementarity test and show that while the two-photon state shows wave-particle complementarity, the classical pulses do not.\n\n### [Dynamics of an unbalanced two-ion crystal in a Penning trap for  application in optical mass spectrometry](http://arxiv.org/abs/1907.08045v1) (1907.08045v1)\n<b>Manuel J. Gutiérrez, Joaquín Berrocal, Francisco Domínguez, Iñigo Arrazola, Michael Block, Enrique Solano, Daniel Rodríguez</b>\n\n<i>2019-07-18</i>\n> In this article, the dynamics of an unbalanced two-ion crystal comprising the 'target' and the 'sensor' ions confined in a Penning trap has been studied. First, the low amplitude regime is addressed. In this regime, the overall potential including the Coulomb repulsion between the ions can be considered harmonic and the axial, magnetron and reduced-cyclotron modes split up into the so-called 'stretch' and 'common' modes, that are generalizations of the well-known 'breathing' and 'center-of-mass' motions of a balanced crystal made of two ions. By measuring the frequency modes of the crystal and the sensor ion eigenfrequencies using optical detection, it will be possible to determine the target ion's free-cyclotron frequency. The measurement scheme is described and the non-harmonicity of the Coulomb interaction is discussed since this might cause large systematic effects.\n\n### [Polarization effects in bound-free pair production](http://arxiv.org/abs/1907.08025v1) (1907.08025v1)\n<b>J. Sommerfeldt, R. A. Müller, A. N. Artemyev, A. Surzhykov</b>\n\n<i>2019-07-18</i>\n> We present a theoretical study of bound-free electron-positron pair production in the interaction of ![](http://latex2png.com/output//latex_03b3d3c34db979f91f61324978833de2.png)-rays with bare ions. Special attention is paid to the longitudinal polarization of both the emitted positrons and the produced hydrogen-like ions. To evaluate this polarization we employed exact solutions of the relativistic Dirac equation and treat the electron-photon coupling within the framework of first-order perturbation theory. Detailed calculations have been performed for both, low- and high-Z ions and for a wide range of photon energies. The results of these calculations suggest that bound-free pair production can be a source of strongly polarized positrons and ions.\n\n### [Experimental Identification of Sub-Cycle Ionization Bursts during  Strong-Field Double Ionization of H![](http://latex2png.com/output//latex_4223ec05912b994c2067ff9b6a5e0098.png)](http://arxiv.org/abs/1907.07932v1) (1907.07932v1)\n<b>Václav Hanus, Sarayoo Kangaparambil, Martin Dorner-Kirchner, Xinhua Xie, Markus S. Schöffler, Gerhard G. Paulus, Andrius Baltuška, André Staudte, Markus Kitzler-Zeiler</b>\n\n<i>2019-07-18</i>\n> We report on the unambiguous observation of the sub-cycle ionization bursts in sequential double ionization of H![](http://latex2png.com/output//latex_4223ec05912b994c2067ff9b6a5e0098.png) and their disentanglement in molecular frame photoelectron angular distributions. The observation was made using a coincidence momentum spectroscopy and few-cycle laser pulses with a known carrier-envelope phase focused to the intensity of ![](http://latex2png.com/output//latex_94368a9b55956a76a26310a311cc20a1.png) W/cm![](http://latex2png.com/output//latex_c325d54e893a48d5fd764007d924c553.png). We envision that the approach demonstrated here can be extended to polyatomic molecules where it should allow sampling of the intramolecular electron dynamics.\n\n### [QED radiative corrections to the ![](http://latex2png.com/output//latex_c325d54e893a48d5fd764007d924c553.png)P![](http://latex2png.com/output//latex_519fdaa0261e3e5f02e7f3a27d0fd500.png)-![](http://latex2png.com/output//latex_c325d54e893a48d5fd764007d924c553.png)P![](http://latex2png.com/output//latex_5b9110fa48b2699639d1e999e46cf04c.png)  fine-structure in fluorinelike ions](http://arxiv.org/abs/1907.07913v1) (1907.07913v1)\n<b>A. V. Volotka, M. Bilal, R. Beerwerth, X. Ma, Th. Stöhlker, S. Fritzsche</b>\n\n<i>2019-07-18</i>\n> Ab initio calculations of QED radiative corrections to the ![](http://latex2png.com/output//latex_7842d7a3e3f7e72a558c6bca1f4da0ce.png) - ![](http://latex2png.com/output//latex_f5ab281bf180c3af2e8eb99afe39c5c3.png) fine-structure transition energy are performed for selected F-like ions. These calculations are nonperturbative in ![](http://latex2png.com/output//latex_042e4602001a2f9056b89162c1fc8455.png) and include all first-order and many-electron second-order effects in ![](http://latex2png.com/output//latex_879bee8d9bc4848dee78650baeff05fd.png). When compared to approximate QED computations, a notable discrepancy is found especially for F-like uranium for which the predicted self-energy contributions even differ in sign. Moreover, all deviations between theory and experiment for the ![](http://latex2png.com/output//latex_7842d7a3e3f7e72a558c6bca1f4da0ce.png) - ![](http://latex2png.com/output//latex_f5ab281bf180c3af2e8eb99afe39c5c3.png) fine-structure energies of F-like ions, reported recently by Li et al., Phys. Rev. A 98, 020502(R) (2018), are resolved if their highly accurate, non-QED fine-structure values are combined with the QED corrections ab initially evaluated here.\n\n### [Direct temperature determination of a sympathetically cooled large  113Cd+ ion crystal for a microwave clock](http://arxiv.org/abs/1902.10907v3) (1902.10907v3)\n<b>Y. N. Zuo, J. Z. Han, J. W. Zhang, L. J. Wang</b>\n\n<i>2019-02-28</i>\n> This paper reports the direct temperature determination of sympathetically cooled 113Cd+ ions with laser-cooled 24Mg+ in a linear Paul trap. The sympathetically cooled ion species distribute in the outer shell of the large ensembles, which contain up to 3.3E5 ions. With optimized parameters, the minimum temperature of the sympathetically cooled 113Cd+ ions was measured to be tens of mK. These results indicate promising performance for microwave atomic clocks. The second order Doppler frequency shift is two orders of magnitudes lower and the Dick effect is suppressed.\n\n### [Magneto-optical resonances in fluorescence from sodium D2 manifold](http://arxiv.org/abs/1907.07701v1) (1907.07701v1)\n<b>Raghwinder S. Grewal, Gour S. Pati, Renu Tripathi, Anthony W. Yu, Michael Krainak, Michael Purucker</b>\n\n<i>2019-07-17</i>\n> We report on magneto-optical resonances observed in sodium fluorescence from D2 manifold with an intensity modulated light illuminating a sodium (Na) cell containing Ne buffer gas. Resonances are measured in fluorescence emitted perpendicular and backward to the light propagation direction in the cell. Properties of these resonances are studied by varying the magnetic field at fixed light modulation frequency, and vice-versa. A dark resonance having maximum amplitude for laser wavelength close to the crossover peak, is observed. The origin of dark resonance observed in Na D2 line is discussed. Pulse modulation with low-duty cycle shows higher-harmonic resonances of the modulation frequency and sub-harmonic resonances of the Larmor frequency. Present study is aimed towards improving the understanding of magneto-optical resonances for remote magnetometry applications with mesospheric sodium.\n\n### [Rydberg impurity in a Fermi gas: Quantum statistics and rotational  blockade](http://arxiv.org/abs/1907.07685v1) (1907.07685v1)\n<b>John Sous, H. R. Sadeghpour, T. C. Killian, Eugene Demler, Richard Schmidt</b>\n\n<i>2019-07-17</i>\n> We consider the quench of an atomic impurity via a single Rydberg excitation in a degenerate Fermi gas. The Rydberg interaction with the background gas particles induces an ultralong-range potential that binds particles to form dimers, trimers, tetramers, etc. Such oligomeric molecules were recently observed in atomic Bose-Einstein condensates. In this work, we demonstrate with a functional determinant approach that quantum statistics and fluctuations have observable spectral consequences. We show that the occupation of molecular states is predicated on the Fermi statistics, which suppresses molecular formation in an emergent molecular shell structure. At large gas densities this leads to spectral narrowing, which can serve as a probe of the quantum gas thermodynamic properties.\n\n### [Matter-wave interferometry with atoms in high Rydberg states](http://arxiv.org/abs/1907.07649v1) (1907.07649v1)\n<b>J. E. Palmer, S. D. Hogan</b>\n\n<i>2019-07-17</i>\n> Matter-wave interferometry has been performed with helium atoms in high Rydberg states. In the experiments the atoms were prepared in coherent superpositions of Rydberg states with different electric dipole moments. Upon the application of an inhomogeneous electric field, the different forces on these internal state components resulted in the generation of coherent superpositions of momentum states. Using a sequence of microwave and electric field gradient pulses the internal Rydberg states were entangled with the momentum states associated with the external motion of these matter waves. Under these conditions matter-wave interference was observed by monitoring the populations of the Rydberg states as the magnitudes and durations of the pulsed electric field gradients were adjusted. The results of the experiments have been compared to, and are in excellent quantitative agreement with, matter-wave interference patterns calculated for the corresponding pulse sequences. For the Rydberg states used, the spatial extent of the Rydberg electron wavefunction was ~320 nm. Matter-wave interferometry with such giant atoms is of interest in the exploration of the boundary between quantum and classical mechanics. The results presented also open new possibilities for measurements of the acceleration of Rydberg positronium or antihydrogen atoms in the Earth's gravitational field.\n\n### [Quantum and Nonlinear Effects in Light Transmitted through Planar Atomic  Arrays](http://arxiv.org/abs/1907.07030v2) (1907.07030v2)\n<b>Robert J. Bettles, Mark D. Lee, Simon A. Gardiner, Janne Ruostekoski</b>\n\n<i>2019-07-16</i>\n> We identify significant quantum many-body effects, robust to position fluctuations and strong dipole--dipole interactions, in the forward light scattering from planar arrays and uniform-density disks of cold atoms, by comparing stochastic electrodynamics simulations of a quantum master equation and of a semiclassical model that neglects quantum fluctuations. Quantum effects are pronounced at high atomic densities with the light close to saturation intensity, and especially at subradiant resonances. We find an enhanced semiclassical model with a single-atom quantum description provides good qualitative, and frequently quantitative agreement with the full quantum solution. We use the semiclassical simulations for large ensembles that would otherwise be numerically inaccessible, and observe collective many-body analogues of resonance power broadening and vacuum Rabi splitting, as well as significant suppression in cooperative reflection from atom arrays.\n\n <br><hr> <center>Keeping updated in the latest research in atomic and molecular clusters!<br>https://cdn.steemitimages.com/DQmdFumnivXHMvLbaX5nwM5C25xz78ihBCE7kaukfJv4DMn/image.png<br></center>",
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      "body": "\n\n# <center>Atomic And Molecular Clusters</center> \n <hr> \n\n### [Compound-tunable embedding potential method and its application to  fersmite crystal](http://arxiv.org/abs/1907.06947v1) (1907.06947v1)\n<b>D. A. Maltsev, Yu. V. Lomachuk, V. M. Shakhova, N. S. Mosyagin, L. V. Skripnikov, A. V. Titov</b>\n\n<i>2019-07-16</i>\n> Compound-tunable embedding potential (CTEP) method is proposed. A fragment of some chemical compound, \"main cluster\" in the present paper, is limited by boundary anions such that the nearest environmental atoms are cations. The CTEP method is based on constructing the embedding potential as linear combination of short-range \"electron-free\" spherical \"tunable\" pseudopotentials for cations from nearest environment of the main cluster, whereas the long-range CTEP part consists of Coulomb potentials from optimized fractional point charges centered on both environmental cations and anions.   A pilot application of the CTEP method to the fersmite crystal, CaNb![](http://latex2png.com/output//latex_4223ec05912b994c2067ff9b6a5e0098.png)O![](http://latex2png.com/output//latex_3a0093e35830ba34df3125bdb2e2c8df.png), is performed and a remarkable agreement of the electronic density and interatomic distances within the fragment with those of the original periodic crystal calculation is attained. Characteristics of \"atoms-in-compounds\" which are of great importance for compound of ![](http://latex2png.com/output//latex_ea72e29a9a4c9e3003c9b16af8d348fa.png)- and ![](http://latex2png.com/output//latex_1074f36f338aecfb026d39bf4c338cdb.png)-elements (Nb in fersmite) are considered on examples of chemical shifts of ![](http://latex2png.com/output//latex_32dc586f4a52bc3e59e4c7d77946ff0e.png) and ![](http://latex2png.com/output//latex_0062cd6d1c5828d01136f6092e47c3ef.png) lines of X-ray emission spectra in niobium. A very promising potential of this approach in studying variety of properties of point defects containing ![](http://latex2png.com/output//latex_ea72e29a9a4c9e3003c9b16af8d348fa.png)- and heavy ![](http://latex2png.com/output//latex_1074f36f338aecfb026d39bf4c338cdb.png)-elements with relativistic effects, extended basis set and broken crystal symmetry considered is discussed.\n\n### [Setting the photoelectron clock through molecular alignment](http://arxiv.org/abs/1802.06622v2) (1802.06622v2)\n<b>Andrea Trabattoni, Joss Wiese, Umberto De Giovannini, Jean François Olivieri, Terry Mullins, Jolijn Onvlee, Sang-Kil Son, Biagio Frusteri, Angel Rubio, Sebastian Trippel, Jochen Küpper</b>\n\n<i>2018-02-19</i>\n> The interaction of strong laser fields with matter intrinsically provides powerful tools to image transient dynamics with an extremely high spatiotemporal resolution. In strong-field physics, the initial conditions of this interaction are generally considered a weak perturbation. We investigated strong-field ionisation of laser-aligned molecules and showed, for the first time, a full real-time picture of the photoelectron dynamics in the combined action of the laser field and the molecular interaction. We demonstrated that the molecule defines the initial conditions of the photoelectron at birth and has a dramatic impact on the overall strong-field recollision dynamics: it sets the clock for the emission of electrons with a given rescattering kinetic energy. This result represents a new benchmark for the seminal statements of molecular-frame strong-field physics. Our findings have strong impact on the interpretation of self-diffraction experiments, where the photoelectron momentum distribution is used to retrieve molecular structures. Furthermore, the resulting encoding of the time-energy relation in molecular-frame photoelectron distributions shows the way of probing the molecular potential in real-time and accessing a deeper understanding of electron transport during strong-field interactions.\n\n### [Electron capture and ionization cross-section calculations for proton  collisions from methane and the DNA and RNA nucleobases](http://arxiv.org/abs/1907.06708v1) (1907.06708v1)\n<b>Hans Juergen Luedde, Marko Horbatsch, Tom Kirchner</b>\n\n<i>2019-07-15</i>\n> Net ionization and net capture cross-section calculations are presented for proton collisions from methane molecules and the DNA/RNA nucleobases adenine, cytosine, guanine, thymine, and uracil. We use the recently introduced independent-atom-model pixel counting method to calculate these cross sections in the 10 keV to 10 MeV impact energy range and compare them with results obtained from the simpler additivity rule, a previously used complete-neglect-of-differential-overlap method, and with experimental data and previous calculations where available. It is found that all theoretical results agree reasonably well at high energies, but deviate significantly in the low-to-intermediate energy range. In particular, the pixel counting method which takes the geometrical overlap of atomic cross sections into account is the only calculation that is able to describe the measurements for capture in proton-methane collisions down to 10 keV impact energy. For the nucleobases it also yields a significantly smaller cross section in this region than the other models. New measurements are urgently required to test this prediction.\n\n### [The most stable isomer of H![](http://latex2png.com/output//latex_4223ec05912b994c2067ff9b6a5e0098.png)C![](http://latex2png.com/output//latex_2e757c53af43d8c65cb5fbd37e777963.png)-(OCS)![](http://latex2png.com/output//latex_4223ec05912b994c2067ff9b6a5e0098.png) van der Waals complex:  Theory and experiment agree on a structure with C2 symmetry](http://arxiv.org/abs/1907.05822v1) (1907.05822v1)\n<b>A. J. Barclay, A. Pietropolli Charmet, N. Moazzen-Ahmadi</b>\n\n<i>2019-07-12</i>\n> We report the infrared spectrum of H![](http://latex2png.com/output//latex_4223ec05912b994c2067ff9b6a5e0098.png)C![](http://latex2png.com/output//latex_2e757c53af43d8c65cb5fbd37e777963.png)-(OCS)![](http://latex2png.com/output//latex_4223ec05912b994c2067ff9b6a5e0098.png) trimer in the region of the nu1 fundamental vibration of the OCS monomer. The van der Waals complexes are generated in a supersonic slit-jet apparatus and probed using a rapid-scan tunable diode laser. Both H![](http://latex2png.com/output//latex_4223ec05912b994c2067ff9b6a5e0098.png)C![](http://latex2png.com/output//latex_2e757c53af43d8c65cb5fbd37e777963.png)-(OCS)![](http://latex2png.com/output//latex_4223ec05912b994c2067ff9b6a5e0098.png) and D![](http://latex2png.com/output//latex_4223ec05912b994c2067ff9b6a5e0098.png)C![](http://latex2png.com/output//latex_2e757c53af43d8c65cb5fbd37e777963.png)-(OCS)![](http://latex2png.com/output//latex_4223ec05912b994c2067ff9b6a5e0098.png) are studied. Analysis of their spectra establishes that the trimer has C![](http://latex2png.com/output//latex_4223ec05912b994c2067ff9b6a5e0098.png) point group symmetry. Theoretical calculations performed to find stationary points on the potential energy surface confirm that the observed structure is the most stable form. The experimental rotational parameters are in very good agreement with those computed using double hybrid functionals.\n\n### [Photoemission from hybrid states of Cl@![](http://latex2png.com/output//latex_5729463bc0c4e7671fca08ffd65052f5.png) before and after a  stabilizing charge transfer](http://arxiv.org/abs/1907.04881v1) (1907.04881v1)\n<b>Dakota Shields, Ruma De, Mohamed El-Amine Madjet, Steven T. Manson, Himadri S. Chakraborty</b>\n\n<i>2019-07-10</i>\n> Photoionization calculations of the endofullerene molecule Cl@![](http://latex2png.com/output//latex_5729463bc0c4e7671fca08ffd65052f5.png) with an open-shell chlorine atom are performed in the time-dependent local density approximation (TDLDA) based on a spherical jellium model. Cross sections for atom-fullerene hybrid photoemission studied show the effects of the hybridization symmetry, the giant plasmon and the molecular cavity. Comparisons with the results of Ar@![](http://latex2png.com/output//latex_5729463bc0c4e7671fca08ffd65052f5.png) provide insights in the role of a shell-closing electron and its influence on the dynamics. The results for Cl@![](http://latex2png.com/output//latex_5729463bc0c4e7671fca08ffd65052f5.png) are further compared with those of a more stable, lower energy configuration that results after a ![](http://latex2png.com/output//latex_5729463bc0c4e7671fca08ffd65052f5.png) electron transfers to Cl forming Cl![](http://latex2png.com/output//latex_3db7472b2dff59a7a3b040ffb618bf6b.png)@![](http://latex2png.com/output//latex_ee916313db48bce2d6ae0419cf2ba985.png). This comparison reveals noticeable differences in the ionization properties of the antibonding hybrid state while the bonding hybrid remains nearly unaltered showing a magnification covering the entire giant plasmon energy range.\n\n### [Far-from-equilibrium dynamics of angular momentum in a quantum  many-particle system](http://arxiv.org/abs/1906.12238v2) (1906.12238v2)\n<b>Igor N. Cherepanov, Giacomo Bighin, Lars Christiansen, Anders Vestergaard Jørgensen, Richard Schmidt, Henrik Stapelfeldt, Mikhail Lemeshko</b>\n\n<i>2019-06-28</i>\n> We use laser-induced rotation of single molecules embedded in superfluid helium nanodroplets to reveal angular momentum dynamics and transfer in a controlled setting, under far-from-equilibrium conditions. As an unexpected result, we observe pronounced oscillations of time-dependent molecular alignment that have no counterpart in gas-phase molecules. Angulon theory reveals that these oscillations originate from the unique rotational structure of molecules in He droplets and quantum-state-specific transfer of rotational angular momentum to the many-body He environment on picosecond timescales. Our results pave the way to understanding collective effects of macroscopic angular momentum exchange in solid state systems in a bottom-up fashion.\n\n### [Pure Molecular Beam of Water Dimer](http://arxiv.org/abs/1904.08716v3) (1904.08716v3)\n<b>Helen Bieker, Jolijn Onvlee, Melby Johny, Lanhai He, Thomas Kierspel, Sebastian Trippel, Daniel A. Horke, Jochen Küpper</b>\n\n<i>2019-04-18</i>\n> Spatial separation of water dimer from water monomer and larger water-clusters through the electric deflector is presented. A beam of water dimer with ![](http://latex2png.com/output//latex_ca61ddd9b1f998e5374b4bc81ae29786.png) purity and a rotational temperature of ![](http://latex2png.com/output//latex_ec607a9f4fcada01f32410593914ce03.png)K was obtained. Following strong-field ionization using a ![](http://latex2png.com/output//latex_caab544be60cc49c4cb71474ecd4f4c4.png)fs laser pulse with a wavelength centered around ![](http://latex2png.com/output//latex_19035da93dd43f06de7a4b460492ee5a.png)nm and a peak intensity of ![](http://latex2png.com/output//latex_48ebbc4187b01af0a3ded434f1d02102.png) we observed proton transfer and ![](http://latex2png.com/output//latex_0d797493abbe903dd36673e46d03ba7f.png) of the ionized water dimer broke apart into a hydronium ion ![](http://latex2png.com/output//latex_1a62eade47618c1bcb2ba1bf3e089b71.png) and neutral OH.\n\n### [Structure determination of the tetracene dimer in helium nanodroplets  using femtosecond strong-field ionization](http://arxiv.org/abs/1907.03168v1) (1907.03168v1)\n<b>Constant Schouder, Adam S. Chatterley, Florent Calvo, Lars Christiansen, Henrik Stapelfeldt</b>\n\n<i>2019-07-06</i>\n> Dimers of tetracene molecules are formed inside helium nanodroplets and identified through covariance analysis of the emission directions of kinetic tetracene cations stemming from femtosecond laser-induced Coulomb explosion. Next, the dimers are aligned in either one or three dimensions under field-free conditions by a nonresonant, moderately intense laser pulse. The experimental angular covariance maps of the tetracene ions are compared to calculated covariance maps for seven different dimer conformations and found to be consistent with four of these. Additional measurements of the alignment-dependent strong-field ionization yield of the dimer narrows the possible conformations down to either a slipped-parallel or parallel-slightly-rotated structure. According to our quantum chemistry calculations, these are the two most stable gas-phase conformations of the dimer and one of them is favorable for singlet fission.\n\n### [Electronic structure of 3![](http://latex2png.com/output//latex_1074f36f338aecfb026d39bf4c338cdb.png)-transition-metal monoxide anions from ![](http://latex2png.com/output//latex_bfa22ce313d442bc6109d20d446fc94a.png)  calculations: ScO![](http://latex2png.com/output//latex_912cb8c2f72b9c2d544cbe2bbe262ad4.png), TiO![](http://latex2png.com/output//latex_912cb8c2f72b9c2d544cbe2bbe262ad4.png), CuO![](http://latex2png.com/output//latex_912cb8c2f72b9c2d544cbe2bbe262ad4.png), and ZnO![](http://latex2png.com/output//latex_912cb8c2f72b9c2d544cbe2bbe262ad4.png)](http://arxiv.org/abs/1907.02181v1) (1907.02181v1)\n<b>Young-Moo Byun, Serdar Öğüt</b>\n\n<i>2019-07-04</i>\n> The ![](http://latex2png.com/output//latex_bfa22ce313d442bc6109d20d446fc94a.png) approximation to many-body perturbation theory is a reliable tool for describing charged electronic excitations, and it has been successfully applied to a wide range of extended systems for several decades using a plane-wave basis. However, the ![](http://latex2png.com/output//latex_bfa22ce313d442bc6109d20d446fc94a.png) approximation has been used to test limited spectral properties of a limited set of finite systems (e.g. frontier orbital energies of closed-shell ![](http://latex2png.com/output//latex_abf8b8704071eddfeadd0ffa3c0d35b9.png) molecules) only for about a decade using a local-orbital basis. Here, we calculate the quasiparticle spectra of closed- and open-shell molecular anions with partially and completely filled 3![](http://latex2png.com/output//latex_1074f36f338aecfb026d39bf4c338cdb.png) shells (i.e. with shallow and deep 3![](http://latex2png.com/output//latex_1074f36f338aecfb026d39bf4c338cdb.png) states), ScO![](http://latex2png.com/output//latex_912cb8c2f72b9c2d544cbe2bbe262ad4.png), TiO![](http://latex2png.com/output//latex_912cb8c2f72b9c2d544cbe2bbe262ad4.png), CuO![](http://latex2png.com/output//latex_912cb8c2f72b9c2d544cbe2bbe262ad4.png), and ZnO![](http://latex2png.com/output//latex_912cb8c2f72b9c2d544cbe2bbe262ad4.png), using various levels of ![](http://latex2png.com/output//latex_bfa22ce313d442bc6109d20d446fc94a.png) theory, and compare them to experiments to evaluate the performance of the ![](http://latex2png.com/output//latex_bfa22ce313d442bc6109d20d446fc94a.png) approximation on the electronic structure of small molecules containing 3![](http://latex2png.com/output//latex_1074f36f338aecfb026d39bf4c338cdb.png) transition metals. We find that the ![](http://latex2png.com/output//latex_96b1247b8e11515b9d3ef5ffe46a0a95.png)-only eigenvalue-only self-consistent ![](http://latex2png.com/output//latex_bfa22ce313d442bc6109d20d446fc94a.png) scheme with ![](http://latex2png.com/output//latex_18c0c1f38ea799215bdbb8acae5d3708.png) fixed to the PBE level (![](http://latex2png.com/output//latex_2ce001b9b97f62745e15244f0b7d2d6c.png)@PBE), which gives the best compromise between accuracy and efficiency for solids, also gives good results for both localized (![](http://latex2png.com/output//latex_1074f36f338aecfb026d39bf4c338cdb.png)) and delocalized (![](http://latex2png.com/output//latex_abf8b8704071eddfeadd0ffa3c0d35b9.png)) states of transition metal oxide molecules. The success of ![](http://latex2png.com/output//latex_2ce001b9b97f62745e15244f0b7d2d6c.png)@PBE in predicting electronic excitations in these systems reasonably well is likely due to the fortuitous cancellation effect between the overscreening of the Coulomb interaction by PBE and the underscreening by the neglect of vertex corrections. Together with the absence of the self-consistent field convergence error (e.g. due to spin contamination in open-shell systems) and the ![](http://latex2png.com/output//latex_bfa22ce313d442bc6109d20d446fc94a.png) multi-solution issue, the ![](http://latex2png.com/output//latex_2ce001b9b97f62745e15244f0b7d2d6c.png)@PBE scheme gives the possibility to predict the electronic structure of complex real systems (e.g. molecule-solid and ![](http://latex2png.com/output//latex_abf8b8704071eddfeadd0ffa3c0d35b9.png)-![](http://latex2png.com/output//latex_1074f36f338aecfb026d39bf4c338cdb.png) hybrid systems) accurately and efficiently.\n\n### [Reexamination of Tolman's law and the Gibbs adsorption equation for  curved interfaces](http://arxiv.org/abs/1703.08719v2) (1703.08719v2)\n<b>Martin Thomas Horsch, Stefan Becker, Michaela Heier, Jayant Kumar Singh, Felix Diewald, Ralf Müller, George Jackson, Jadran Vrabec, Hans Hasse</b>\n\n<i>2017-03-25</i>\n> In manuscript arXiv:1703.08719 [cond-mat.soft], it was claimed that the well-known deduction of Tolman's law is not rigorous, since Tolman's argument implies that two different definitions of the surface tension, called ![](http://latex2png.com/output//latex_03b3d3c34db979f91f61324978833de2.png) and ![](http://latex2png.com/output//latex_e0a5da2bd07a662ae936e62337b81e25.png) in the manuscript, coincide. This claim is retracted as it can be shown by free-energy minimization that ![](http://latex2png.com/output//latex_0a7c5e2c31f3bd0dd90cefa1e0559456.png) indeed holds for the Laplace radius. Joachim Gro\\ss, Philipp Rehner, Carlos Vega, \\O{}ivind Wilhelmsen, and the anonymous reviewers of The Journal of Chemical Physics contributed to finding the mistake in the manuscript.\n\n <br><hr> <center>Keeping updated in the latest research in atomic and molecular clusters!<br>https://cdn.steemitimages.com/DQmdFumnivXHMvLbaX5nwM5C25xz78ihBCE7kaukfJv4DMn/image.png<br></center>",
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      "body": "\n\n# <center>Atomic And Molecular Clusters</center> \n <hr> \n\n### [Compound-tunable embedding potential method and its application to  fersmite crystal](http://arxiv.org/abs/1907.06947v1) (1907.06947v1)\n<b>D. A. Maltsev, Yu. V. Lomachuk, V. M. Shakhova, N. S. Mosyagin, L. V. Skripnikov, A. V. Titov</b>\n\n<i>2019-07-16</i>\n> Compound-tunable embedding potential (CTEP) method is proposed. A fragment of some chemical compound, \"main cluster\" in the present paper, is limited by boundary anions such that the nearest environmental atoms are cations. The CTEP method is based on constructing the embedding potential as linear combination of short-range \"electron-free\" spherical \"tunable\" pseudopotentials for cations from nearest environment of the main cluster, whereas the long-range CTEP part consists of Coulomb potentials from optimized fractional point charges centered on both environmental cations and anions.   A pilot application of the CTEP method to the fersmite crystal, CaNb![](http://latex2png.com/output//latex_4223ec05912b994c2067ff9b6a5e0098.png)O![](http://latex2png.com/output//latex_3a0093e35830ba34df3125bdb2e2c8df.png), is performed and a remarkable agreement of the electronic density and interatomic distances within the fragment with those of the original periodic crystal calculation is attained. Characteristics of \"atoms-in-compounds\" which are of great importance for compound of ![](http://latex2png.com/output//latex_ea72e29a9a4c9e3003c9b16af8d348fa.png)- and ![](http://latex2png.com/output//latex_1074f36f338aecfb026d39bf4c338cdb.png)-elements (Nb in fersmite) are considered on examples of chemical shifts of ![](http://latex2png.com/output//latex_32dc586f4a52bc3e59e4c7d77946ff0e.png) and ![](http://latex2png.com/output//latex_0062cd6d1c5828d01136f6092e47c3ef.png) lines of X-ray emission spectra in niobium. A very promising potential of this approach in studying variety of properties of point defects containing ![](http://latex2png.com/output//latex_ea72e29a9a4c9e3003c9b16af8d348fa.png)- and heavy ![](http://latex2png.com/output//latex_1074f36f338aecfb026d39bf4c338cdb.png)-elements with relativistic effects, extended basis set and broken crystal symmetry considered is discussed.\n\n### [Setting the photoelectron clock through molecular alignment](http://arxiv.org/abs/1802.06622v2) (1802.06622v2)\n<b>Andrea Trabattoni, Joss Wiese, Umberto De Giovannini, Jean François Olivieri, Terry Mullins, Jolijn Onvlee, Sang-Kil Son, Biagio Frusteri, Angel Rubio, Sebastian Trippel, Jochen Küpper</b>\n\n<i>2018-02-19</i>\n> The interaction of strong laser fields with matter intrinsically provides powerful tools to image transient dynamics with an extremely high spatiotemporal resolution. In strong-field physics, the initial conditions of this interaction are generally considered a weak perturbation. We investigated strong-field ionisation of laser-aligned molecules and showed, for the first time, a full real-time picture of the photoelectron dynamics in the combined action of the laser field and the molecular interaction. We demonstrated that the molecule defines the initial conditions of the photoelectron at birth and has a dramatic impact on the overall strong-field recollision dynamics: it sets the clock for the emission of electrons with a given rescattering kinetic energy. This result represents a new benchmark for the seminal statements of molecular-frame strong-field physics. Our findings have strong impact on the interpretation of self-diffraction experiments, where the photoelectron momentum distribution is used to retrieve molecular structures. Furthermore, the resulting encoding of the time-energy relation in molecular-frame photoelectron distributions shows the way of probing the molecular potential in real-time and accessing a deeper understanding of electron transport during strong-field interactions.\n\n### [Electron capture and ionization cross-section calculations for proton  collisions from methane and the DNA and RNA nucleobases](http://arxiv.org/abs/1907.06708v1) (1907.06708v1)\n<b>Hans Juergen Luedde, Marko Horbatsch, Tom Kirchner</b>\n\n<i>2019-07-15</i>\n> Net ionization and net capture cross-section calculations are presented for proton collisions from methane molecules and the DNA/RNA nucleobases adenine, cytosine, guanine, thymine, and uracil. We use the recently introduced independent-atom-model pixel counting method to calculate these cross sections in the 10 keV to 10 MeV impact energy range and compare them with results obtained from the simpler additivity rule, a previously used complete-neglect-of-differential-overlap method, and with experimental data and previous calculations where available. It is found that all theoretical results agree reasonably well at high energies, but deviate significantly in the low-to-intermediate energy range. In particular, the pixel counting method which takes the geometrical overlap of atomic cross sections into account is the only calculation that is able to describe the measurements for capture in proton-methane collisions down to 10 keV impact energy. For the nucleobases it also yields a significantly smaller cross section in this region than the other models. New measurements are urgently required to test this prediction.\n\n### [The most stable isomer of H![](http://latex2png.com/output//latex_4223ec05912b994c2067ff9b6a5e0098.png)C![](http://latex2png.com/output//latex_2e757c53af43d8c65cb5fbd37e777963.png)-(OCS)![](http://latex2png.com/output//latex_4223ec05912b994c2067ff9b6a5e0098.png) van der Waals complex:  Theory and experiment agree on a structure with C2 symmetry](http://arxiv.org/abs/1907.05822v1) (1907.05822v1)\n<b>A. J. Barclay, A. Pietropolli Charmet, N. Moazzen-Ahmadi</b>\n\n<i>2019-07-12</i>\n> We report the infrared spectrum of H![](http://latex2png.com/output//latex_4223ec05912b994c2067ff9b6a5e0098.png)C![](http://latex2png.com/output//latex_2e757c53af43d8c65cb5fbd37e777963.png)-(OCS)![](http://latex2png.com/output//latex_4223ec05912b994c2067ff9b6a5e0098.png) trimer in the region of the nu1 fundamental vibration of the OCS monomer. The van der Waals complexes are generated in a supersonic slit-jet apparatus and probed using a rapid-scan tunable diode laser. Both H![](http://latex2png.com/output//latex_4223ec05912b994c2067ff9b6a5e0098.png)C![](http://latex2png.com/output//latex_2e757c53af43d8c65cb5fbd37e777963.png)-(OCS)![](http://latex2png.com/output//latex_4223ec05912b994c2067ff9b6a5e0098.png) and D![](http://latex2png.com/output//latex_4223ec05912b994c2067ff9b6a5e0098.png)C![](http://latex2png.com/output//latex_2e757c53af43d8c65cb5fbd37e777963.png)-(OCS)![](http://latex2png.com/output//latex_4223ec05912b994c2067ff9b6a5e0098.png) are studied. Analysis of their spectra establishes that the trimer has C![](http://latex2png.com/output//latex_4223ec05912b994c2067ff9b6a5e0098.png) point group symmetry. Theoretical calculations performed to find stationary points on the potential energy surface confirm that the observed structure is the most stable form. The experimental rotational parameters are in very good agreement with those computed using double hybrid functionals.\n\n### [Photoemission from hybrid states of Cl@![](http://latex2png.com/output//latex_5729463bc0c4e7671fca08ffd65052f5.png) before and after a  stabilizing charge transfer](http://arxiv.org/abs/1907.04881v1) (1907.04881v1)\n<b>Dakota Shields, Ruma De, Mohamed El-Amine Madjet, Steven T. Manson, Himadri S. Chakraborty</b>\n\n<i>2019-07-10</i>\n> Photoionization calculations of the endofullerene molecule Cl@![](http://latex2png.com/output//latex_5729463bc0c4e7671fca08ffd65052f5.png) with an open-shell chlorine atom are performed in the time-dependent local density approximation (TDLDA) based on a spherical jellium model. Cross sections for atom-fullerene hybrid photoemission studied show the effects of the hybridization symmetry, the giant plasmon and the molecular cavity. Comparisons with the results of Ar@![](http://latex2png.com/output//latex_5729463bc0c4e7671fca08ffd65052f5.png) provide insights in the role of a shell-closing electron and its influence on the dynamics. The results for Cl@![](http://latex2png.com/output//latex_5729463bc0c4e7671fca08ffd65052f5.png) are further compared with those of a more stable, lower energy configuration that results after a ![](http://latex2png.com/output//latex_5729463bc0c4e7671fca08ffd65052f5.png) electron transfers to Cl forming Cl![](http://latex2png.com/output//latex_3db7472b2dff59a7a3b040ffb618bf6b.png)@![](http://latex2png.com/output//latex_ee916313db48bce2d6ae0419cf2ba985.png). This comparison reveals noticeable differences in the ionization properties of the antibonding hybrid state while the bonding hybrid remains nearly unaltered showing a magnification covering the entire giant plasmon energy range.\n\n### [Far-from-equilibrium dynamics of angular momentum in a quantum  many-particle system](http://arxiv.org/abs/1906.12238v2) (1906.12238v2)\n<b>Igor N. Cherepanov, Giacomo Bighin, Lars Christiansen, Anders Vestergaard Jørgensen, Richard Schmidt, Henrik Stapelfeldt, Mikhail Lemeshko</b>\n\n<i>2019-06-28</i>\n> We use laser-induced rotation of single molecules embedded in superfluid helium nanodroplets to reveal angular momentum dynamics and transfer in a controlled setting, under far-from-equilibrium conditions. As an unexpected result, we observe pronounced oscillations of time-dependent molecular alignment that have no counterpart in gas-phase molecules. Angulon theory reveals that these oscillations originate from the unique rotational structure of molecules in He droplets and quantum-state-specific transfer of rotational angular momentum to the many-body He environment on picosecond timescales. Our results pave the way to understanding collective effects of macroscopic angular momentum exchange in solid state systems in a bottom-up fashion.\n\n### [Pure Molecular Beam of Water Dimer](http://arxiv.org/abs/1904.08716v3) (1904.08716v3)\n<b>Helen Bieker, Jolijn Onvlee, Melby Johny, Lanhai He, Thomas Kierspel, Sebastian Trippel, Daniel A. Horke, Jochen Küpper</b>\n\n<i>2019-04-18</i>\n> Spatial separation of water dimer from water monomer and larger water-clusters through the electric deflector is presented. A beam of water dimer with ![](http://latex2png.com/output//latex_ca61ddd9b1f998e5374b4bc81ae29786.png) purity and a rotational temperature of ![](http://latex2png.com/output//latex_ec607a9f4fcada01f32410593914ce03.png)K was obtained. Following strong-field ionization using a ![](http://latex2png.com/output//latex_caab544be60cc49c4cb71474ecd4f4c4.png)fs laser pulse with a wavelength centered around ![](http://latex2png.com/output//latex_19035da93dd43f06de7a4b460492ee5a.png)nm and a peak intensity of ![](http://latex2png.com/output//latex_48ebbc4187b01af0a3ded434f1d02102.png) we observed proton transfer and ![](http://latex2png.com/output//latex_0d797493abbe903dd36673e46d03ba7f.png) of the ionized water dimer broke apart into a hydronium ion ![](http://latex2png.com/output//latex_1a62eade47618c1bcb2ba1bf3e089b71.png) and neutral OH.\n\n### [Structure determination of the tetracene dimer in helium nanodroplets  using femtosecond strong-field ionization](http://arxiv.org/abs/1907.03168v1) (1907.03168v1)\n<b>Constant Schouder, Adam S. Chatterley, Florent Calvo, Lars Christiansen, Henrik Stapelfeldt</b>\n\n<i>2019-07-06</i>\n> Dimers of tetracene molecules are formed inside helium nanodroplets and identified through covariance analysis of the emission directions of kinetic tetracene cations stemming from femtosecond laser-induced Coulomb explosion. Next, the dimers are aligned in either one or three dimensions under field-free conditions by a nonresonant, moderately intense laser pulse. The experimental angular covariance maps of the tetracene ions are compared to calculated covariance maps for seven different dimer conformations and found to be consistent with four of these. Additional measurements of the alignment-dependent strong-field ionization yield of the dimer narrows the possible conformations down to either a slipped-parallel or parallel-slightly-rotated structure. According to our quantum chemistry calculations, these are the two most stable gas-phase conformations of the dimer and one of them is favorable for singlet fission.\n\n### [Electronic structure of 3![](http://latex2png.com/output//latex_1074f36f338aecfb026d39bf4c338cdb.png)-transition-metal monoxide anions from ![](http://latex2png.com/output//latex_bfa22ce313d442bc6109d20d446fc94a.png)  calculations: ScO![](http://latex2png.com/output//latex_912cb8c2f72b9c2d544cbe2bbe262ad4.png), TiO![](http://latex2png.com/output//latex_912cb8c2f72b9c2d544cbe2bbe262ad4.png), CuO![](http://latex2png.com/output//latex_912cb8c2f72b9c2d544cbe2bbe262ad4.png), and ZnO![](http://latex2png.com/output//latex_912cb8c2f72b9c2d544cbe2bbe262ad4.png)](http://arxiv.org/abs/1907.02181v1) (1907.02181v1)\n<b>Young-Moo Byun, Serdar Öğüt</b>\n\n<i>2019-07-04</i>\n> The ![](http://latex2png.com/output//latex_bfa22ce313d442bc6109d20d446fc94a.png) approximation to many-body perturbation theory is a reliable tool for describing charged electronic excitations, and it has been successfully applied to a wide range of extended systems for several decades using a plane-wave basis. However, the ![](http://latex2png.com/output//latex_bfa22ce313d442bc6109d20d446fc94a.png) approximation has been used to test limited spectral properties of a limited set of finite systems (e.g. frontier orbital energies of closed-shell ![](http://latex2png.com/output//latex_abf8b8704071eddfeadd0ffa3c0d35b9.png) molecules) only for about a decade using a local-orbital basis. Here, we calculate the quasiparticle spectra of closed- and open-shell molecular anions with partially and completely filled 3![](http://latex2png.com/output//latex_1074f36f338aecfb026d39bf4c338cdb.png) shells (i.e. with shallow and deep 3![](http://latex2png.com/output//latex_1074f36f338aecfb026d39bf4c338cdb.png) states), ScO![](http://latex2png.com/output//latex_912cb8c2f72b9c2d544cbe2bbe262ad4.png), TiO![](http://latex2png.com/output//latex_912cb8c2f72b9c2d544cbe2bbe262ad4.png), CuO![](http://latex2png.com/output//latex_912cb8c2f72b9c2d544cbe2bbe262ad4.png), and ZnO![](http://latex2png.com/output//latex_912cb8c2f72b9c2d544cbe2bbe262ad4.png), using various levels of ![](http://latex2png.com/output//latex_bfa22ce313d442bc6109d20d446fc94a.png) theory, and compare them to experiments to evaluate the performance of the ![](http://latex2png.com/output//latex_bfa22ce313d442bc6109d20d446fc94a.png) approximation on the electronic structure of small molecules containing 3![](http://latex2png.com/output//latex_1074f36f338aecfb026d39bf4c338cdb.png) transition metals. We find that the ![](http://latex2png.com/output//latex_96b1247b8e11515b9d3ef5ffe46a0a95.png)-only eigenvalue-only self-consistent ![](http://latex2png.com/output//latex_bfa22ce313d442bc6109d20d446fc94a.png) scheme with ![](http://latex2png.com/output//latex_18c0c1f38ea799215bdbb8acae5d3708.png) fixed to the PBE level (![](http://latex2png.com/output//latex_2ce001b9b97f62745e15244f0b7d2d6c.png)@PBE), which gives the best compromise between accuracy and efficiency for solids, also gives good results for both localized (![](http://latex2png.com/output//latex_1074f36f338aecfb026d39bf4c338cdb.png)) and delocalized (![](http://latex2png.com/output//latex_abf8b8704071eddfeadd0ffa3c0d35b9.png)) states of transition metal oxide molecules. The success of ![](http://latex2png.com/output//latex_2ce001b9b97f62745e15244f0b7d2d6c.png)@PBE in predicting electronic excitations in these systems reasonably well is likely due to the fortuitous cancellation effect between the overscreening of the Coulomb interaction by PBE and the underscreening by the neglect of vertex corrections. Together with the absence of the self-consistent field convergence error (e.g. due to spin contamination in open-shell systems) and the ![](http://latex2png.com/output//latex_bfa22ce313d442bc6109d20d446fc94a.png) multi-solution issue, the ![](http://latex2png.com/output//latex_2ce001b9b97f62745e15244f0b7d2d6c.png)@PBE scheme gives the possibility to predict the electronic structure of complex real systems (e.g. molecule-solid and ![](http://latex2png.com/output//latex_abf8b8704071eddfeadd0ffa3c0d35b9.png)-![](http://latex2png.com/output//latex_1074f36f338aecfb026d39bf4c338cdb.png) hybrid systems) accurately and efficiently.\n\n### [Reexamination of Tolman's law and the Gibbs adsorption equation for  curved interfaces](http://arxiv.org/abs/1703.08719v2) (1703.08719v2)\n<b>Martin Thomas Horsch, Stefan Becker, Michaela Heier, Jayant Kumar Singh, Felix Diewald, Ralf Müller, George Jackson, Jadran Vrabec, Hans Hasse</b>\n\n<i>2017-03-25</i>\n> In manuscript arXiv:1703.08719 [cond-mat.soft], it was claimed that the well-known deduction of Tolman's law is not rigorous, since Tolman's argument implies that two different definitions of the surface tension, called ![](http://latex2png.com/output//latex_03b3d3c34db979f91f61324978833de2.png) and ![](http://latex2png.com/output//latex_e0a5da2bd07a662ae936e62337b81e25.png) in the manuscript, coincide. This claim is retracted as it can be shown by free-energy minimization that ![](http://latex2png.com/output//latex_0a7c5e2c31f3bd0dd90cefa1e0559456.png) indeed holds for the Laplace radius. Joachim Gro\\ss, Philipp Rehner, Carlos Vega, \\O{}ivind Wilhelmsen, and the anonymous reviewers of The Journal of Chemical Physics contributed to finding the mistake in the manuscript.\n\n <br><hr> <center>Keeping updated in the latest research in atomic and molecular clusters!<br>https://cdn.steemitimages.com/DQmdFumnivXHMvLbaX5nwM5C25xz78ihBCE7kaukfJv4DMn/image.png<br></center>",
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      "body": "\n\n# <center>Atomic Physics</center> \n <hr> \n\n### [Matter-wave interferometry with atoms in high Rydberg states](http://arxiv.org/abs/1907.07649v1) (1907.07649v1)\n<b>J. E. Palmer, S. D. Hogan</b>\n\n<i>2019-07-17</i>\n> Matter-wave interferometry has been performed with helium atoms in high Rydberg states. In the experiments the atoms were prepared in coherent superpositions of Rydberg states with different electric dipole moments. Upon the application of an inhomogeneous electric field, the different forces on these internal state components resulted in the generation of coherent superpositions of momentum states. Using a sequence of microwave and electric field gradient pulses the internal Rydberg states were entangled with the momentum states associated with the external motion of these matter waves. Under these conditions matter-wave interference was observed by monitoring the populations of the Rydberg states as the magnitudes and durations of the pulsed electric field gradients were adjusted. The results of the experiments have been compared to, and are in excellent quantitative agreement with, matter-wave interference patterns calculated for the corresponding pulse sequences. For the Rydberg states used, the spatial extent of the Rydberg electron wavefunction was ~320 nm. Matter-wave interferometry with such giant atoms is of interest in the exploration of the boundary between quantum and classical mechanics. The results presented also open new possibilities for measurements of the acceleration of Rydberg positronium or antihydrogen atoms in the Earth's gravitational field.\n\n### [Quantum and Nonlinear Effects in Light Transmitted through Planar Atomic  Arrays](http://arxiv.org/abs/1907.07030v2) (1907.07030v2)\n<b>Robert J. Bettles, Mark D. Lee, Simon A. Gardiner, Janne Ruostekoski</b>\n\n<i>2019-07-16</i>\n> We identify significant quantum many-body effects, robust to position fluctuations and strong dipole--dipole interactions, in the forward light scattering from planar arrays and uniform-density disks of cold atoms, by comparing stochastic electrodynamics simulations of a quantum master equation and of a semiclassical model that neglects quantum fluctuations. Quantum effects are pronounced at high atomic densities with the light close to saturation intensity, and especially at subradiant resonances. We find an enhanced semiclassical model with a single-atom quantum description provides good qualitative, and frequently quantitative agreement with the full quantum solution. We use the semiclassical simulations for large ensembles that would otherwise be numerically inaccessible, and observe collective many-body analogues of resonance power broadening and vacuum Rabi splitting, as well as significant suppression in cooperative reflection from atom arrays.\n\n### [Self-formation of coherent emission in a cavity-free system](http://arxiv.org/abs/1907.07635v1) (1907.07635v1)\n<b>A. A. Zyablovsky, I. V. Doronin, E. S. Andrianov, A. A. Pukhov, Yu. E. Lozovik, A. P. Vinogradov, A. A. Lisyansky</b>\n\n<i>2019-07-17</i>\n> It is commonly accepted that a collection of pumped atoms without a resonator, which provides feedback, cannot lase. We show that intermodal coupling via active atoms pulls the frequencies of the free-space modes towards the transition frequency of the atoms. Although at a low pump rate mode phases randomly fluctuate, phase realizations at which interference of pulled modes is constructive emerge. This results in an increase of stimulated emission into such realizations and makes their lifetime longer. Thus, mode pulling provides positive feedback. When the pump rate exceeds a certain threshold, the lifetime of one of the realizations diverges, and radiation becomes coherent.\n\n### [MEMS-based design of a high-finesse fiber cavity integrated with an ion  trap](http://arxiv.org/abs/1907.07594v1) (1907.07594v1)\n<b>Moonjoo Lee, Minjae Lee, Seokjun Hong, Klemens Schüppert, Yeong-Dae Kwon, Taehyun Kim, Yves Colombe, Tracy E. Northup, Dong-Il \"Dan\" Cho, Rainer Blatt</b>\n\n<i>2019-07-17</i>\n> We present a numerical study of a MEMS-based design of a fiber cavity integrated with an ion trap system. Each fiber mirror is supported by a microactuator that controls the mirror's position in three dimensions. The mechanical stability is investigated by a feasibility analysis showing that the actuator offers a stable support of the fiber. The actuators move the fibers' positions continuously with a stroke of more than 10 ![](http://latex2png.com/output//latex_d6ab24fcd975e3392b48ba13cd4778fc.png)m, with mechanical resonance frequencies on the order of kHz. A calculation of the trapping potential shows that a separation between ion and fiber consistent with strong ion-cavity coupling is feasible. Our miniaturized ion-photon interface constitutes a viable approach to integrated hardware for quantum information.\n\n### [Quantum rotation sensing with dual Sagnac interferometers in an  atom-optical waveguide](http://arxiv.org/abs/1907.05466v2) (1907.05466v2)\n<b>E. R. Moan, R. A. Horne, T. Arpornthip, Z. Luo, A. J. Fallon, S. J. Berl, C. A. Sackett</b>\n\n<i>2019-07-11</i>\n> Sensitive and accurate rotation sensing is a critical requirement for applications such as inertial navigation [1], north-finding [2], geophysical analysis [3], and tests of general relativity [4]. One effective technique used for rotation sensing is Sagnac interferometry, in which a wave is split, traverses two paths that enclose an area, and then recombined. The resulting interference signal depends on the rotation rate of the system and the area enclosed by the paths [5]. Optical Sagnac interferometers are an important component in present-day navigation systems [6], but suffer from limited sensitivity and stability. Interferometers using matter waves are intrinsically more sensitive and have demonstrated superior gyroscope performance [7-9], but the benefits have not been large enough to offset the substantial increase in apparatus size and complexity that atomic systems require. It has long been hoped that these problems might be overcome using atoms confined in a guiding potential or trap, as opposed to atoms falling in free space [10-12]. This allows the atoms to be supported against gravity, so a long measurement time can be achieved without requiring a large drop distance. The guiding potential can also be used to control the trajectory of the atoms, causing them to move in a circular loop that provides the optimum enclosed area for a given linear size [13]. Here we use such an approach to demonstrate a rotation measurement with Earth-rate sensitivity.\n\n### [Seed and vacuum pair production in strong laser field](http://arxiv.org/abs/1907.03786v3) (1907.03786v3)\n<b>Huayu Hu</b>\n\n<i>2019-07-08</i>\n> Researches on the electron-positron pair production in the presence of the intense laser field are reviewed, motivated by the theoretical importance of the nonperturbative QED problem and the worldwide development of the strong laser facilities. According to distinct experimental requirements and theoretical methods, two types of pair production are elaborated, which are respectively the pair production in the combination of a seed particle and the strong laser, and vacuum pair production without a seed particle. The origin of the nonperturbative problem caused by the strong field is analyzed. The main ideas, realization, achievements, validity, challenges and bottleneck problems of the nonperturbative methods developed for each type of the pair production problem are discussed.\n\n### [Enhanced nuclear Schiff moment in stable and metastable nuclei](http://arxiv.org/abs/1907.07438v1) (1907.07438v1)\n<b>V. V. Flambaum, H. Feldmeier</b>\n\n<i>2019-07-17</i>\n> Octupole deformation results in strongly enhanced collective nuclear Schiff moments. In nuclear isotopes which are neighbours to the nuclei with the static octupole there is a soft octupole vibration mode which also leads to the enhancement of the Schiff moment. These mechanisms produce enhanced Schiff moments in stable and very long lifetime nuclei such as 153Eu, 235U and 237Np. Interaction between electrons and these Schiff moments produce enhanced time reversal (T) and parity (P) violating electric dipole moments (EDM) in atoms and molecules. Corresponding experiments may be used to test CP-violation theories predicting T,P-violating nuclear forces and to search for axions.\n\n### [Sensitivity of isotope shift to distribution of nuclear charge density](http://arxiv.org/abs/1907.07435v1) (1907.07435v1)\n<b>V. V. Flambaum, V. A. Dzuba</b>\n\n<i>2019-07-17</i>\n> It is usually assumed that the field isotope shift (FIS) is completely determined by the change of the averaged squared values of the nuclear charge radius ![](http://latex2png.com/output//latex_7aabf8d6d057a4fedd42652893b558fa.png). Relativistic corrections modify the expression for FIS, which is actually described by the change of ![](http://latex2png.com/output//latex_75c1e3d5503140f2faf7bf404699eaa6.png), where ![](http://latex2png.com/output//latex_769cc2219c2ce1bbeb48ac7bce219a7d.png). In the present paper we consider corrections to FIS which are due to the nuclear deformation and due to the predicted reduced charge density in the middle of the superheavy nuclei produced by a very strong proton repulsion (hole in the nuclear centre). Specifically, we investigate effects which can not be completely reduced to the change of ![](http://latex2png.com/output//latex_a192e770f2b4a847ff473437a6afaf22.png) or ![](http://latex2png.com/output//latex_75c1e3d5503140f2faf7bf404699eaa6.png).\n\n### [Groundstates and low-lying states of W IX, W X, and W XI tungsten ions](http://arxiv.org/abs/1907.07417v1) (1907.07417v1)\n<b>Karol Kozioł</b>\n\n<i>2019-07-17</i>\n> The groundstates and low-lying states of W IX (W![](http://latex2png.com/output//latex_cdfc490e44077dad9f1c2b327d6df34a.png)), W X (W![](http://latex2png.com/output//latex_c1447420a6b13a8cb45234364c083c09.png)), and W XI (W![](http://latex2png.com/output//latex_16ba00f66bf09465a7890ceec312031c.png)) tungsten ions related to ![](http://latex2png.com/output//latex_e750155a7434e7054193e862d33edd3b.png) and ![](http://latex2png.com/output//latex_0634bed4c7e7f07c38def9bf6c4c3101.png) valence configurations have been studied theoretically, employing the multi-configuration Dirac-Hartree-Fock method with configuration interaction. The aim of present research is to fill a lack of atomic data for these tungsten ionization stages, which may help in identification of the measured complex spectra and be a base for collisional-radiative modeling for spectra of tungsten ions occurring in plasma.\n\n### [Breit and QED contributions in atomic structure calculations of tungsten  ions](http://arxiv.org/abs/1907.07403v1) (1907.07403v1)\n<b>Karol Kozioł</b>\n\n<i>2019-07-17</i>\n> The FAC, GRASP2K, and MCDFGME codes are compared in three case study of radiative transitions occurring in tungsten ions: (i) Ni1 and Ni2 lines in Ni-like tungsten, (ii) ![](http://latex2png.com/output//latex_be2842ae79dd44620f381a216325f6fa.png) hyperfine splitting in Cl-like tungsten, and (iii) ![](http://latex2png.com/output//latex_cca5c64231ca7998510deb433a39f773.png) and ![](http://latex2png.com/output//latex_95b04a13aae5dd69f4676c6ba557c864.png) lines in W VIII. 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      "body": "\n\n# <center>Atomic And Molecular Clusters</center> \n <hr> \n\n### [Compound-tunable embedding potential method and its application to  fersmite crystal](http://arxiv.org/abs/1907.06947v1) (1907.06947v1)\n<b>D. A. Maltsev, Yu. V. Lomachuk, V. M. Shakhova, N. S. Mosyagin, L. V. Skripnikov, A. V. Titov</b>\n\n<i>2019-07-16</i>\n> Compound-tunable embedding potential (CTEP) method is proposed. A fragment of some chemical compound, \"main cluster\" in the present paper, is limited by boundary anions such that the nearest environmental atoms are cations. The CTEP method is based on constructing the embedding potential as linear combination of short-range \"electron-free\" spherical \"tunable\" pseudopotentials for cations from nearest environment of the main cluster, whereas the long-range CTEP part consists of Coulomb potentials from optimized fractional point charges centered on both environmental cations and anions.   A pilot application of the CTEP method to the fersmite crystal, CaNb![](http://latex2png.com/output//latex_4223ec05912b994c2067ff9b6a5e0098.png)O![](http://latex2png.com/output//latex_3a0093e35830ba34df3125bdb2e2c8df.png), is performed and a remarkable agreement of the electronic density and interatomic distances within the fragment with those of the original periodic crystal calculation is attained. Characteristics of \"atoms-in-compounds\" which are of great importance for compound of ![](http://latex2png.com/output//latex_ea72e29a9a4c9e3003c9b16af8d348fa.png)- and ![](http://latex2png.com/output//latex_1074f36f338aecfb026d39bf4c338cdb.png)-elements (Nb in fersmite) are considered on examples of chemical shifts of ![](http://latex2png.com/output//latex_32dc586f4a52bc3e59e4c7d77946ff0e.png) and ![](http://latex2png.com/output//latex_0062cd6d1c5828d01136f6092e47c3ef.png) lines of X-ray emission spectra in niobium. A very promising potential of this approach in studying variety of properties of point defects containing ![](http://latex2png.com/output//latex_ea72e29a9a4c9e3003c9b16af8d348fa.png)- and heavy ![](http://latex2png.com/output//latex_1074f36f338aecfb026d39bf4c338cdb.png)-elements with relativistic effects, extended basis set and broken crystal symmetry considered is discussed.\n\n### [Setting the photoelectron clock through molecular alignment](http://arxiv.org/abs/1802.06622v2) (1802.06622v2)\n<b>Andrea Trabattoni, Joss Wiese, Umberto De Giovannini, Jean François Olivieri, Terry Mullins, Jolijn Onvlee, Sang-Kil Son, Biagio Frusteri, Angel Rubio, Sebastian Trippel, Jochen Küpper</b>\n\n<i>2018-02-19</i>\n> The interaction of strong laser fields with matter intrinsically provides powerful tools to image transient dynamics with an extremely high spatiotemporal resolution. In strong-field physics, the initial conditions of this interaction are generally considered a weak perturbation. We investigated strong-field ionisation of laser-aligned molecules and showed, for the first time, a full real-time picture of the photoelectron dynamics in the combined action of the laser field and the molecular interaction. We demonstrated that the molecule defines the initial conditions of the photoelectron at birth and has a dramatic impact on the overall strong-field recollision dynamics: it sets the clock for the emission of electrons with a given rescattering kinetic energy. This result represents a new benchmark for the seminal statements of molecular-frame strong-field physics. Our findings have strong impact on the interpretation of self-diffraction experiments, where the photoelectron momentum distribution is used to retrieve molecular structures. Furthermore, the resulting encoding of the time-energy relation in molecular-frame photoelectron distributions shows the way of probing the molecular potential in real-time and accessing a deeper understanding of electron transport during strong-field interactions.\n\n### [Electron capture and ionization cross-section calculations for proton  collisions from methane and the DNA and RNA nucleobases](http://arxiv.org/abs/1907.06708v1) (1907.06708v1)\n<b>Hans Juergen Luedde, Marko Horbatsch, Tom Kirchner</b>\n\n<i>2019-07-15</i>\n> Net ionization and net capture cross-section calculations are presented for proton collisions from methane molecules and the DNA/RNA nucleobases adenine, cytosine, guanine, thymine, and uracil. We use the recently introduced independent-atom-model pixel counting method to calculate these cross sections in the 10 keV to 10 MeV impact energy range and compare them with results obtained from the simpler additivity rule, a previously used complete-neglect-of-differential-overlap method, and with experimental data and previous calculations where available. It is found that all theoretical results agree reasonably well at high energies, but deviate significantly in the low-to-intermediate energy range. In particular, the pixel counting method which takes the geometrical overlap of atomic cross sections into account is the only calculation that is able to describe the measurements for capture in proton-methane collisions down to 10 keV impact energy. For the nucleobases it also yields a significantly smaller cross section in this region than the other models. New measurements are urgently required to test this prediction.\n\n### [The most stable isomer of H![](http://latex2png.com/output//latex_4223ec05912b994c2067ff9b6a5e0098.png)C![](http://latex2png.com/output//latex_2e757c53af43d8c65cb5fbd37e777963.png)-(OCS)![](http://latex2png.com/output//latex_4223ec05912b994c2067ff9b6a5e0098.png) van der Waals complex:  Theory and experiment agree on a structure with C2 symmetry](http://arxiv.org/abs/1907.05822v1) (1907.05822v1)\n<b>A. J. Barclay, A. Pietropolli Charmet, N. Moazzen-Ahmadi</b>\n\n<i>2019-07-12</i>\n> We report the infrared spectrum of H![](http://latex2png.com/output//latex_4223ec05912b994c2067ff9b6a5e0098.png)C![](http://latex2png.com/output//latex_2e757c53af43d8c65cb5fbd37e777963.png)-(OCS)![](http://latex2png.com/output//latex_4223ec05912b994c2067ff9b6a5e0098.png) trimer in the region of the nu1 fundamental vibration of the OCS monomer. The van der Waals complexes are generated in a supersonic slit-jet apparatus and probed using a rapid-scan tunable diode laser. Both H![](http://latex2png.com/output//latex_4223ec05912b994c2067ff9b6a5e0098.png)C![](http://latex2png.com/output//latex_2e757c53af43d8c65cb5fbd37e777963.png)-(OCS)![](http://latex2png.com/output//latex_4223ec05912b994c2067ff9b6a5e0098.png) and D![](http://latex2png.com/output//latex_4223ec05912b994c2067ff9b6a5e0098.png)C![](http://latex2png.com/output//latex_2e757c53af43d8c65cb5fbd37e777963.png)-(OCS)![](http://latex2png.com/output//latex_4223ec05912b994c2067ff9b6a5e0098.png) are studied. Analysis of their spectra establishes that the trimer has C![](http://latex2png.com/output//latex_4223ec05912b994c2067ff9b6a5e0098.png) point group symmetry. Theoretical calculations performed to find stationary points on the potential energy surface confirm that the observed structure is the most stable form. The experimental rotational parameters are in very good agreement with those computed using double hybrid functionals.\n\n### [Photoemission from hybrid states of Cl@![](http://latex2png.com/output//latex_5729463bc0c4e7671fca08ffd65052f5.png) before and after a  stabilizing charge transfer](http://arxiv.org/abs/1907.04881v1) (1907.04881v1)\n<b>Dakota Shields, Ruma De, Mohamed El-Amine Madjet, Steven T. Manson, Himadri S. Chakraborty</b>\n\n<i>2019-07-10</i>\n> Photoionization calculations of the endofullerene molecule Cl@![](http://latex2png.com/output//latex_5729463bc0c4e7671fca08ffd65052f5.png) with an open-shell chlorine atom are performed in the time-dependent local density approximation (TDLDA) based on a spherical jellium model. Cross sections for atom-fullerene hybrid photoemission studied show the effects of the hybridization symmetry, the giant plasmon and the molecular cavity. Comparisons with the results of Ar@![](http://latex2png.com/output//latex_5729463bc0c4e7671fca08ffd65052f5.png) provide insights in the role of a shell-closing electron and its influence on the dynamics. The results for Cl@![](http://latex2png.com/output//latex_5729463bc0c4e7671fca08ffd65052f5.png) are further compared with those of a more stable, lower energy configuration that results after a ![](http://latex2png.com/output//latex_5729463bc0c4e7671fca08ffd65052f5.png) electron transfers to Cl forming Cl![](http://latex2png.com/output//latex_3db7472b2dff59a7a3b040ffb618bf6b.png)@![](http://latex2png.com/output//latex_ee916313db48bce2d6ae0419cf2ba985.png). This comparison reveals noticeable differences in the ionization properties of the antibonding hybrid state while the bonding hybrid remains nearly unaltered showing a magnification covering the entire giant plasmon energy range.\n\n### [Far-from-equilibrium dynamics of angular momentum in a quantum  many-particle system](http://arxiv.org/abs/1906.12238v2) (1906.12238v2)\n<b>Igor N. Cherepanov, Giacomo Bighin, Lars Christiansen, Anders Vestergaard Jørgensen, Richard Schmidt, Henrik Stapelfeldt, Mikhail Lemeshko</b>\n\n<i>2019-06-28</i>\n> We use laser-induced rotation of single molecules embedded in superfluid helium nanodroplets to reveal angular momentum dynamics and transfer in a controlled setting, under far-from-equilibrium conditions. As an unexpected result, we observe pronounced oscillations of time-dependent molecular alignment that have no counterpart in gas-phase molecules. Angulon theory reveals that these oscillations originate from the unique rotational structure of molecules in He droplets and quantum-state-specific transfer of rotational angular momentum to the many-body He environment on picosecond timescales. Our results pave the way to understanding collective effects of macroscopic angular momentum exchange in solid state systems in a bottom-up fashion.\n\n### [Pure Molecular Beam of Water Dimer](http://arxiv.org/abs/1904.08716v3) (1904.08716v3)\n<b>Helen Bieker, Jolijn Onvlee, Melby Johny, Lanhai He, Thomas Kierspel, Sebastian Trippel, Daniel A. Horke, Jochen Küpper</b>\n\n<i>2019-04-18</i>\n> Spatial separation of water dimer from water monomer and larger water-clusters through the electric deflector is presented. A beam of water dimer with ![](http://latex2png.com/output//latex_ca61ddd9b1f998e5374b4bc81ae29786.png) purity and a rotational temperature of ![](http://latex2png.com/output//latex_ec607a9f4fcada01f32410593914ce03.png)K was obtained. Following strong-field ionization using a ![](http://latex2png.com/output//latex_caab544be60cc49c4cb71474ecd4f4c4.png)fs laser pulse with a wavelength centered around ![](http://latex2png.com/output//latex_19035da93dd43f06de7a4b460492ee5a.png)nm and a peak intensity of ![](http://latex2png.com/output//latex_48ebbc4187b01af0a3ded434f1d02102.png) we observed proton transfer and ![](http://latex2png.com/output//latex_0d797493abbe903dd36673e46d03ba7f.png) of the ionized water dimer broke apart into a hydronium ion ![](http://latex2png.com/output//latex_1a62eade47618c1bcb2ba1bf3e089b71.png) and neutral OH.\n\n### [Structure determination of the tetracene dimer in helium nanodroplets  using femtosecond strong-field ionization](http://arxiv.org/abs/1907.03168v1) (1907.03168v1)\n<b>Constant Schouder, Adam S. Chatterley, Florent Calvo, Lars Christiansen, Henrik Stapelfeldt</b>\n\n<i>2019-07-06</i>\n> Dimers of tetracene molecules are formed inside helium nanodroplets and identified through covariance analysis of the emission directions of kinetic tetracene cations stemming from femtosecond laser-induced Coulomb explosion. Next, the dimers are aligned in either one or three dimensions under field-free conditions by a nonresonant, moderately intense laser pulse. The experimental angular covariance maps of the tetracene ions are compared to calculated covariance maps for seven different dimer conformations and found to be consistent with four of these. Additional measurements of the alignment-dependent strong-field ionization yield of the dimer narrows the possible conformations down to either a slipped-parallel or parallel-slightly-rotated structure. According to our quantum chemistry calculations, these are the two most stable gas-phase conformations of the dimer and one of them is favorable for singlet fission.\n\n### [Electronic structure of 3![](http://latex2png.com/output//latex_1074f36f338aecfb026d39bf4c338cdb.png)-transition-metal monoxide anions from ![](http://latex2png.com/output//latex_bfa22ce313d442bc6109d20d446fc94a.png)  calculations: ScO![](http://latex2png.com/output//latex_912cb8c2f72b9c2d544cbe2bbe262ad4.png), TiO![](http://latex2png.com/output//latex_912cb8c2f72b9c2d544cbe2bbe262ad4.png), CuO![](http://latex2png.com/output//latex_912cb8c2f72b9c2d544cbe2bbe262ad4.png), and ZnO![](http://latex2png.com/output//latex_912cb8c2f72b9c2d544cbe2bbe262ad4.png)](http://arxiv.org/abs/1907.02181v1) (1907.02181v1)\n<b>Young-Moo Byun, Serdar Öğüt</b>\n\n<i>2019-07-04</i>\n> The ![](http://latex2png.com/output//latex_bfa22ce313d442bc6109d20d446fc94a.png) approximation to many-body perturbation theory is a reliable tool for describing charged electronic excitations, and it has been successfully applied to a wide range of extended systems for several decades using a plane-wave basis. However, the ![](http://latex2png.com/output//latex_bfa22ce313d442bc6109d20d446fc94a.png) approximation has been used to test limited spectral properties of a limited set of finite systems (e.g. frontier orbital energies of closed-shell ![](http://latex2png.com/output//latex_abf8b8704071eddfeadd0ffa3c0d35b9.png) molecules) only for about a decade using a local-orbital basis. Here, we calculate the quasiparticle spectra of closed- and open-shell molecular anions with partially and completely filled 3![](http://latex2png.com/output//latex_1074f36f338aecfb026d39bf4c338cdb.png) shells (i.e. with shallow and deep 3![](http://latex2png.com/output//latex_1074f36f338aecfb026d39bf4c338cdb.png) states), ScO![](http://latex2png.com/output//latex_912cb8c2f72b9c2d544cbe2bbe262ad4.png), TiO![](http://latex2png.com/output//latex_912cb8c2f72b9c2d544cbe2bbe262ad4.png), CuO![](http://latex2png.com/output//latex_912cb8c2f72b9c2d544cbe2bbe262ad4.png), and ZnO![](http://latex2png.com/output//latex_912cb8c2f72b9c2d544cbe2bbe262ad4.png), using various levels of ![](http://latex2png.com/output//latex_bfa22ce313d442bc6109d20d446fc94a.png) theory, and compare them to experiments to evaluate the performance of the ![](http://latex2png.com/output//latex_bfa22ce313d442bc6109d20d446fc94a.png) approximation on the electronic structure of small molecules containing 3![](http://latex2png.com/output//latex_1074f36f338aecfb026d39bf4c338cdb.png) transition metals. We find that the ![](http://latex2png.com/output//latex_96b1247b8e11515b9d3ef5ffe46a0a95.png)-only eigenvalue-only self-consistent ![](http://latex2png.com/output//latex_bfa22ce313d442bc6109d20d446fc94a.png) scheme with ![](http://latex2png.com/output//latex_18c0c1f38ea799215bdbb8acae5d3708.png) fixed to the PBE level (![](http://latex2png.com/output//latex_2ce001b9b97f62745e15244f0b7d2d6c.png)@PBE), which gives the best compromise between accuracy and efficiency for solids, also gives good results for both localized (![](http://latex2png.com/output//latex_1074f36f338aecfb026d39bf4c338cdb.png)) and delocalized (![](http://latex2png.com/output//latex_abf8b8704071eddfeadd0ffa3c0d35b9.png)) states of transition metal oxide molecules. The success of ![](http://latex2png.com/output//latex_2ce001b9b97f62745e15244f0b7d2d6c.png)@PBE in predicting electronic excitations in these systems reasonably well is likely due to the fortuitous cancellation effect between the overscreening of the Coulomb interaction by PBE and the underscreening by the neglect of vertex corrections. Together with the absence of the self-consistent field convergence error (e.g. due to spin contamination in open-shell systems) and the ![](http://latex2png.com/output//latex_bfa22ce313d442bc6109d20d446fc94a.png) multi-solution issue, the ![](http://latex2png.com/output//latex_2ce001b9b97f62745e15244f0b7d2d6c.png)@PBE scheme gives the possibility to predict the electronic structure of complex real systems (e.g. molecule-solid and ![](http://latex2png.com/output//latex_abf8b8704071eddfeadd0ffa3c0d35b9.png)-![](http://latex2png.com/output//latex_1074f36f338aecfb026d39bf4c338cdb.png) hybrid systems) accurately and efficiently.\n\n### [Reexamination of Tolman's law and the Gibbs adsorption equation for  curved interfaces](http://arxiv.org/abs/1703.08719v2) (1703.08719v2)\n<b>Martin Thomas Horsch, Stefan Becker, Michaela Heier, Jayant Kumar Singh, Felix Diewald, Ralf Müller, George Jackson, Jadran Vrabec, Hans Hasse</b>\n\n<i>2017-03-25</i>\n> In manuscript arXiv:1703.08719 [cond-mat.soft], it was claimed that the well-known deduction of Tolman's law is not rigorous, since Tolman's argument implies that two different definitions of the surface tension, called ![](http://latex2png.com/output//latex_03b3d3c34db979f91f61324978833de2.png) and ![](http://latex2png.com/output//latex_e0a5da2bd07a662ae936e62337b81e25.png) in the manuscript, coincide. This claim is retracted as it can be shown by free-energy minimization that ![](http://latex2png.com/output//latex_0a7c5e2c31f3bd0dd90cefa1e0559456.png) indeed holds for the Laplace radius. Joachim Gro\\ss, Philipp Rehner, Carlos Vega, \\O{}ivind Wilhelmsen, and the anonymous reviewers of The Journal of Chemical Physics contributed to finding the mistake in the manuscript.\n\n <br><hr> <center>Keeping updated in the latest research in atomic and molecular clusters!<br>https://cdn.steemitimages.com/DQmdFumnivXHMvLbaX5nwM5C25xz78ihBCE7kaukfJv4DMn/image.png<br></center>",
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      "body": "\n\n# <center>Atomic And Molecular Clusters</center> \n <hr> \n\n### [The most stable isomer of H![](http://latex2png.com/output//latex_4223ec05912b994c2067ff9b6a5e0098.png)C![](http://latex2png.com/output//latex_2e757c53af43d8c65cb5fbd37e777963.png)-(OCS)![](http://latex2png.com/output//latex_4223ec05912b994c2067ff9b6a5e0098.png) van der Waals complex:  Theory and experiment agree on a structure with C2 symmetry](http://arxiv.org/abs/1907.05822v1) (1907.05822v1)\n<b>A. J. Barclay, A. Pietropolli Charmet, N. Moazzen-Ahmadi</b>\n\n<i>2019-07-12</i>\n> We report the infrared spectrum of H![](http://latex2png.com/output//latex_4223ec05912b994c2067ff9b6a5e0098.png)C![](http://latex2png.com/output//latex_2e757c53af43d8c65cb5fbd37e777963.png)-(OCS)![](http://latex2png.com/output//latex_4223ec05912b994c2067ff9b6a5e0098.png) trimer in the region of the nu1 fundamental vibration of the OCS monomer. The van der Waals complexes are generated in a supersonic slit-jet apparatus and probed using a rapid-scan tunable diode laser. Both H![](http://latex2png.com/output//latex_4223ec05912b994c2067ff9b6a5e0098.png)C![](http://latex2png.com/output//latex_2e757c53af43d8c65cb5fbd37e777963.png)-(OCS)![](http://latex2png.com/output//latex_4223ec05912b994c2067ff9b6a5e0098.png) and D![](http://latex2png.com/output//latex_4223ec05912b994c2067ff9b6a5e0098.png)C![](http://latex2png.com/output//latex_2e757c53af43d8c65cb5fbd37e777963.png)-(OCS)![](http://latex2png.com/output//latex_4223ec05912b994c2067ff9b6a5e0098.png) are studied. Analysis of their spectra establishes that the trimer has C![](http://latex2png.com/output//latex_4223ec05912b994c2067ff9b6a5e0098.png) point group symmetry. Theoretical calculations performed to find stationary points on the potential energy surface confirm that the observed structure is the most stable form. The experimental rotational parameters are in very good agreement with those computed using double hybrid functionals.\n\n### [Photoemission from hybrid states of Cl@![](http://latex2png.com/output//latex_5729463bc0c4e7671fca08ffd65052f5.png) before and after a  stabilizing charge transfer](http://arxiv.org/abs/1907.04881v1) (1907.04881v1)\n<b>Dakota Shields, Ruma De, Mohamed El-Amine Madjet, Steven T. Manson, Himadri S. Chakraborty</b>\n\n<i>2019-07-10</i>\n> Photoionization calculations of the endofullerene molecule Cl@![](http://latex2png.com/output//latex_5729463bc0c4e7671fca08ffd65052f5.png) with an open-shell chlorine atom are performed in the time-dependent local density approximation (TDLDA) based on a spherical jellium model. Cross sections for atom-fullerene hybrid photoemission studied show the effects of the hybridization symmetry, the giant plasmon and the molecular cavity. Comparisons with the results of Ar@![](http://latex2png.com/output//latex_5729463bc0c4e7671fca08ffd65052f5.png) provide insights in the role of a shell-closing electron and its influence on the dynamics. The results for Cl@![](http://latex2png.com/output//latex_5729463bc0c4e7671fca08ffd65052f5.png) are further compared with those of a more stable, lower energy configuration that results after a ![](http://latex2png.com/output//latex_5729463bc0c4e7671fca08ffd65052f5.png) electron transfers to Cl forming Cl![](http://latex2png.com/output//latex_3db7472b2dff59a7a3b040ffb618bf6b.png)@![](http://latex2png.com/output//latex_ee916313db48bce2d6ae0419cf2ba985.png). This comparison reveals noticeable differences in the ionization properties of the antibonding hybrid state while the bonding hybrid remains nearly unaltered showing a magnification covering the entire giant plasmon energy range.\n\n### [Far-from-equilibrium dynamics of angular momentum in a quantum  many-particle system](http://arxiv.org/abs/1906.12238v2) (1906.12238v2)\n<b>Igor N. Cherepanov, Giacomo Bighin, Lars Christiansen, Anders Vestergaard Jørgensen, Richard Schmidt, Henrik Stapelfeldt, Mikhail Lemeshko</b>\n\n<i>2019-06-28</i>\n> We use laser-induced rotation of single molecules embedded in superfluid helium nanodroplets to reveal angular momentum dynamics and transfer in a controlled setting, under far-from-equilibrium conditions. As an unexpected result, we observe pronounced oscillations of time-dependent molecular alignment that have no counterpart in gas-phase molecules. Angulon theory reveals that these oscillations originate from the unique rotational structure of molecules in He droplets and quantum-state-specific transfer of rotational angular momentum to the many-body He environment on picosecond timescales. Our results pave the way to understanding collective effects of macroscopic angular momentum exchange in solid state systems in a bottom-up fashion.\n\n### [Pure Molecular Beam of Water Dimer](http://arxiv.org/abs/1904.08716v3) (1904.08716v3)\n<b>Helen Bieker, Jolijn Onvlee, Melby Johny, Lanhai He, Thomas Kierspel, Sebastian Trippel, Daniel A. Horke, Jochen Küpper</b>\n\n<i>2019-04-18</i>\n> Spatial separation of water dimer from water monomer and larger water-clusters through the electric deflector is presented. A beam of water dimer with ![](http://latex2png.com/output//latex_ca61ddd9b1f998e5374b4bc81ae29786.png) purity and a rotational temperature of ![](http://latex2png.com/output//latex_ec607a9f4fcada01f32410593914ce03.png)K was obtained. Following strong-field ionization using a ![](http://latex2png.com/output//latex_caab544be60cc49c4cb71474ecd4f4c4.png)fs laser pulse with a wavelength centered around ![](http://latex2png.com/output//latex_19035da93dd43f06de7a4b460492ee5a.png)nm and a peak intensity of ![](http://latex2png.com/output//latex_48ebbc4187b01af0a3ded434f1d02102.png) we observed proton transfer and ![](http://latex2png.com/output//latex_0d797493abbe903dd36673e46d03ba7f.png) of the ionized water dimer broke apart into a hydronium ion ![](http://latex2png.com/output//latex_1a62eade47618c1bcb2ba1bf3e089b71.png) and neutral OH.\n\n### [Structure determination of the tetracene dimer in helium nanodroplets  using femtosecond strong-field ionization](http://arxiv.org/abs/1907.03168v1) (1907.03168v1)\n<b>Constant Schouder, Adam S. Chatterley, Florent Calvo, Lars Christiansen, Henrik Stapelfeldt</b>\n\n<i>2019-07-06</i>\n> Dimers of tetracene molecules are formed inside helium nanodroplets and identified through covariance analysis of the emission directions of kinetic tetracene cations stemming from femtosecond laser-induced Coulomb explosion. Next, the dimers are aligned in either one or three dimensions under field-free conditions by a nonresonant, moderately intense laser pulse. The experimental angular covariance maps of the tetracene ions are compared to calculated covariance maps for seven different dimer conformations and found to be consistent with four of these. Additional measurements of the alignment-dependent strong-field ionization yield of the dimer narrows the possible conformations down to either a slipped-parallel or parallel-slightly-rotated structure. According to our quantum chemistry calculations, these are the two most stable gas-phase conformations of the dimer and one of them is favorable for singlet fission.\n\n### [Electronic structure of 3![](http://latex2png.com/output//latex_1074f36f338aecfb026d39bf4c338cdb.png)-transition-metal monoxide anions from ![](http://latex2png.com/output//latex_bfa22ce313d442bc6109d20d446fc94a.png)  calculations: ScO![](http://latex2png.com/output//latex_912cb8c2f72b9c2d544cbe2bbe262ad4.png), TiO![](http://latex2png.com/output//latex_912cb8c2f72b9c2d544cbe2bbe262ad4.png), CuO![](http://latex2png.com/output//latex_912cb8c2f72b9c2d544cbe2bbe262ad4.png), and ZnO![](http://latex2png.com/output//latex_912cb8c2f72b9c2d544cbe2bbe262ad4.png)](http://arxiv.org/abs/1907.02181v1) (1907.02181v1)\n<b>Young-Moo Byun, Serdar Öğüt</b>\n\n<i>2019-07-04</i>\n> The ![](http://latex2png.com/output//latex_bfa22ce313d442bc6109d20d446fc94a.png) approximation to many-body perturbation theory is a reliable tool for describing charged electronic excitations, and it has been successfully applied to a wide range of extended systems for several decades using a plane-wave basis. However, the ![](http://latex2png.com/output//latex_bfa22ce313d442bc6109d20d446fc94a.png) approximation has been used to test limited spectral properties of a limited set of finite systems (e.g. frontier orbital energies of closed-shell ![](http://latex2png.com/output//latex_abf8b8704071eddfeadd0ffa3c0d35b9.png) molecules) only for about a decade using a local-orbital basis. Here, we calculate the quasiparticle spectra of closed- and open-shell molecular anions with partially and completely filled 3![](http://latex2png.com/output//latex_1074f36f338aecfb026d39bf4c338cdb.png) shells (i.e. with shallow and deep 3![](http://latex2png.com/output//latex_1074f36f338aecfb026d39bf4c338cdb.png) states), ScO![](http://latex2png.com/output//latex_912cb8c2f72b9c2d544cbe2bbe262ad4.png), TiO![](http://latex2png.com/output//latex_912cb8c2f72b9c2d544cbe2bbe262ad4.png), CuO![](http://latex2png.com/output//latex_912cb8c2f72b9c2d544cbe2bbe262ad4.png), and ZnO![](http://latex2png.com/output//latex_912cb8c2f72b9c2d544cbe2bbe262ad4.png), using various levels of ![](http://latex2png.com/output//latex_bfa22ce313d442bc6109d20d446fc94a.png) theory, and compare them to experiments to evaluate the performance of the ![](http://latex2png.com/output//latex_bfa22ce313d442bc6109d20d446fc94a.png) approximation on the electronic structure of small molecules containing 3![](http://latex2png.com/output//latex_1074f36f338aecfb026d39bf4c338cdb.png) transition metals. We find that the ![](http://latex2png.com/output//latex_96b1247b8e11515b9d3ef5ffe46a0a95.png)-only eigenvalue-only self-consistent ![](http://latex2png.com/output//latex_bfa22ce313d442bc6109d20d446fc94a.png) scheme with ![](http://latex2png.com/output//latex_18c0c1f38ea799215bdbb8acae5d3708.png) fixed to the PBE level (![](http://latex2png.com/output//latex_2ce001b9b97f62745e15244f0b7d2d6c.png)@PBE), which gives the best compromise between accuracy and efficiency for solids, also gives good results for both localized (![](http://latex2png.com/output//latex_1074f36f338aecfb026d39bf4c338cdb.png)) and delocalized (![](http://latex2png.com/output//latex_abf8b8704071eddfeadd0ffa3c0d35b9.png)) states of transition metal oxide molecules. The success of ![](http://latex2png.com/output//latex_2ce001b9b97f62745e15244f0b7d2d6c.png)@PBE in predicting electronic excitations in these systems reasonably well is likely due to the fortuitous cancellation effect between the overscreening of the Coulomb interaction by PBE and the underscreening by the neglect of vertex corrections. Together with the absence of the self-consistent field convergence error (e.g. due to spin contamination in open-shell systems) and the ![](http://latex2png.com/output//latex_bfa22ce313d442bc6109d20d446fc94a.png) multi-solution issue, the ![](http://latex2png.com/output//latex_2ce001b9b97f62745e15244f0b7d2d6c.png)@PBE scheme gives the possibility to predict the electronic structure of complex real systems (e.g. molecule-solid and ![](http://latex2png.com/output//latex_abf8b8704071eddfeadd0ffa3c0d35b9.png)-![](http://latex2png.com/output//latex_1074f36f338aecfb026d39bf4c338cdb.png) hybrid systems) accurately and efficiently.\n\n### [Reexamination of Tolman's law and the Gibbs adsorption equation for  curved interfaces](http://arxiv.org/abs/1703.08719v2) (1703.08719v2)\n<b>Martin Thomas Horsch, Stefan Becker, Michaela Heier, Jayant Kumar Singh, Felix Diewald, Ralf Müller, George Jackson, Jadran Vrabec, Hans Hasse</b>\n\n<i>2017-03-25</i>\n> In manuscript arXiv:1703.08719 [cond-mat.soft], it was claimed that the well-known deduction of Tolman's law is not rigorous, since Tolman's argument implies that two different definitions of the surface tension, called ![](http://latex2png.com/output//latex_03b3d3c34db979f91f61324978833de2.png) and ![](http://latex2png.com/output//latex_e0a5da2bd07a662ae936e62337b81e25.png) in the manuscript, coincide. This claim is retracted as it can be shown by free-energy minimization that ![](http://latex2png.com/output//latex_0a7c5e2c31f3bd0dd90cefa1e0559456.png) indeed holds for the Laplace radius. Joachim Gro\\ss, Philipp Rehner, Carlos Vega, \\O{}ivind Wilhelmsen, and the anonymous reviewers of The Journal of Chemical Physics contributed to finding the mistake in the manuscript.\n\n### [Molecular size effects on diffraction resonances in positronium  formation from fullerenes](http://arxiv.org/abs/1907.01900v1) (1907.01900v1)\n<b>Paul-Antoine Hervieux, Anzumaan R. Chakraborty, Himadri S. Chakraborty</b>\n\n<i>2019-07-01</i>\n> We previously predicted [P.A. Hervieux et al., Phys. Rev. A \\textbf{95}, 020701 (2017)] that owing to predominant electron capture by incoming positrons from the molecular shell, C![](http://latex2png.com/output//latex_96b1931ba3e95dc39bd156fdd035f413.png) acts like a spherical diffractor inducing resonances in the positronium (Ps) formation as a function of the positron impact energy. By extending the study for a larger C![](http://latex2png.com/output//latex_8255f5fe63f04ce3162ecfec33a2afca.png) fullerene target, we now demonstrate that the diffraction resonances compactify in energy in analogy with the shrinking fringe separation for larger slit size in classical single-slit experiment. The result brings further impetus for conducting Ps spectroscopic experiments with fullerene targets, including target- and/or captured-level differential measurements. The ground states of the fullerenes are modeled in a spherical jellium frame of the local density approximation (LDA) method with the exchange-correlation functional based on the van Leeuween and Baerends (LB94) model potential, while the positron impact and Ps formation are treated in the continuum distorted-wave final state (CDW-FS) approximation.\n\n### [Controlling Sub-Cycle Optical Chirality in the Photoionization of Chiral  Molecules](http://arxiv.org/abs/1906.11325v2) (1906.11325v2)\n<b>Shaked Rozen, Antoine Comby, Etienne Bloch, Sandra Beauvarlet, Dominique Descamps, Baptiste Fabre, Stephane Petit, Valerie Blanchet, Bernard Pons, Nirit Dudovich, Yann Mairesse</b>\n\n<i>2019-06-26</i>\n> Controlling the polarization state of electromagnetic radiation enables the investigation of fundamental symmetry properties of matter through chiroptical processes. Many strategies have been developed to reveal structural or dynamical information about chiral molecules, from the microwave to the extreme ultraviolet range. Most schemes employ circularly or elliptically polarized radiation, and more sophisticated configurations involve, for instance, light pulses with time-varying polarization states. In all these schemes, the polarization state of light is always considered as constant over one optical cycle. In this study, we zoom into the optical cycle in order to resolve and control a subcyle attosecond chiroptical process. We engineer an electric field whose instantaneous chirality can be controlled within the optical cycle, by combining two phase-locked orthogonally polarized fundamental and second harmonic fields. While the composite field has zero net ellipticity, it shows an instantaneous optical chirality which can be controlled via the two-color delay. We theoretically and experimentally investigate the photoionization of chiral molecules with this controlled chiral field. We find that electrons are preferentially ejected forward or backward relative to the laser propagation direction depending on the molecular handedness, similarly to the well-established photoelectron circular dichroism process. However, since the instantaneous chirality switches sign from one half cycle to the next, electrons ionized from two consecutive half cycles of the laser show opposite forward/backward asymmetries. This chiral signal provides a unique insight into the influence of instantaneous chirality in the dynamical photoionization process. Our results demonstrate the important role of sub-cycle polarization shaping of electric fields, as a new route to study and manipulate chiroptical processes.\n\n### [Interactions of benzene, naphthalene, and azulene with alkali-metal and  alkaline-earth-metal atoms for ultracold studies](http://arxiv.org/abs/1903.01378v2) (1903.01378v2)\n<b>Paweł Wójcik, Tatiana Korona, Michał Tomza</b>\n\n<i>2019-03-04</i>\n> We consider collisional properties of polyatomic aromatic hydrocarbon molecules immersed into ultracold atomic gases and investigate intermolecular interactions of exemplary benzene, naphthalene, and azulene with alkali-metal (Li, Na, K, Rb, Cs) and alkaline-earth-metal (Mg, Ca, Sr, Ba) atoms. We apply the state-of-the-art \\textit{ab initio} techniques to compute the potential energy surfaces (PESs). We use the coupled cluster method restricted to single, double, and noniterative triple excitations to reproduce the correlation energy and the small-core energy-consistent pseudopotentials to model the scalar relativistic effects in heavier metal atoms. We also report the leading long-range isotropic and anisotropic dispersion and induction interaction coefficients. The PESs are characterized in detail and the nature of intermolecular interactions is analyzed and benchmarked using symmetry-adapted perturbation theory. The full three-dimensional PESs are provided for selected systems within the atom-bond pairwise additive representation and can be employed in scattering calculations. Presented study of the electronic structure is the first step towards the evaluation of prospects for sympathetic cooling of polyatomic aromatic molecules with ultracold atoms. We suggest azulene, an isomer of naphthalene which possesses a significant permanent electric dipole moment and optical transitions in the visible range, as a promising candidate for electric field manipulation and buffer-gas or sympathetic cooling.\n\n <br><hr> <center>Keeping updated in the latest research in atomic and molecular clusters!<br>https://cdn.steemitimages.com/DQmdFumnivXHMvLbaX5nwM5C25xz78ihBCE7kaukfJv4DMn/image.png<br></center>",
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      "body": "Congratulations @vexina! You have completed the following achievement on the Steem blockchain and have been rewarded with new badge(s) :\n\n<table><tr><td><img src=\"https://steemitimages.com/60x60/http://steemitboard.com/img/notifications/postallweek.png\"></td><td>You published a post every day of the week</td></tr>\n</table>\n\n<sub>_You can view [your badges on your Steem Board](https://steemitboard.com/@vexina) and compare to others on the [Steem Ranking](https://steemitboard.com/ranking/index.php?name=vexina)_</sub>\n<sub>_If you no longer want to receive notifications, reply to this comment with the word_ `STOP`</sub>\n\n\nTo support your work, I also upvoted your post!\n\n\n###### [Vote for @Steemitboard as a witness](https://v2.steemconnect.com/sign/account-witness-vote?witness=steemitboard&approve=1) to get one more award and increased upvotes!",
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      "body": "\n\n# <center>Atomic Physics</center> \n <hr> \n\n### [Observation of Laughlin states made of light](http://arxiv.org/abs/1907.05872v1) (1907.05872v1)\n<b>Logan W. Clark, Nathan Schine, Claire Baum, Ningyuan Jia, Jonathan Simon</b>\n\n<i>2019-07-12</i>\n> Much of the richness in nature emerges because the same simple constituents can form an endless variety of ordered states. While many such states are fully characterized by their symmetries, interacting quantum systems can also exhibit topological order, which is instead characterized by intricate patterns of entanglement. A paradigmatic example of such topological order is the Laughlin state, which minimizes the interaction energy of charged particles in a magnetic field and underlies the fractional quantum Hall effect. Broad efforts have arisen to enhance our understanding of these orders by forming Laughlin states in synthetic quantum systems, such as those composed of ultracold atoms or photons. In spite of these efforts, electron gases remain essentially the only physical system in which topological order has appeared. Here, we present the first observation of optical photon pairs in the Laughlin state. These pairs emerge from a photonic analog of a fractional quantum Hall system, which combines strong, Rydberg-mediated interactions between photons and synthetic magnetic fields for light, induced by twisting an optical resonator. Photons entering this system undergo collisions to form pairs in an angular momentum superposition consistent with the Laughlin state. Characterizing the same pairs in real space reveals that the photons avoid each other, a hallmark of the Laughlin state. This work heralds a new era of quantum many-body optics, where strongly interacting and topological photons enable exploration of quantum matter with wholly new properties and unique probes.\n\n### [Spectroscopy of the 1001 nm transition in atomic dysprosium](http://arxiv.org/abs/1907.05754v1) (1907.05754v1)\n<b>Niels Petersen, Marcel Trümper, Patrick Windpassinger</b>\n\n<i>2019-07-12</i>\n> We report on spectroscopy of cold dysprosium atoms on the ![](http://latex2png.com/output//latex_4f1c51bcd3f6ab0934b1fcb32ea4850c.png) transition and present measurements of the excited state lifetime which is at least ![](http://latex2png.com/output//latex_0f4d278b86c1b1b038781374f5bb5e1e.png) long. Due to the long excited state lifetime we are able to measure the excited state polarizability at ![](http://latex2png.com/output//latex_33d0a097c3eacf9e83da096a6cb84a53.png) by parametric heating to be ![](http://latex2png.com/output//latex_ceaf0b439b11f30b1d53400fd8ea4323.png), which is in fair agreement to theoretical predictions. In addition we measure the isotope shifts of the three most abundant bosonic isotopes of dysprosium on the ![](http://latex2png.com/output//latex_4f1c51bcd3f6ab0934b1fcb32ea4850c.png) transition with an accuracy better than ![](http://latex2png.com/output//latex_92f6fbbcaab0aa83e969751fb3225c04.png).\n\n### [Quantum storage and manipulation of heralded single photons in atomic  quantum memories](http://arxiv.org/abs/1907.05555v1) (1907.05555v1)\n<b>Pin-Ju Tsai, Ya-Fen Hsiao, Ying-Cheng Chen</b>\n\n<i>2019-07-12</i>\n> We demonstrate the storage and manipulation of narrowband heralded single photons from a cavity-enhanced spontaneous parametric downconversion (SPDC) source in the atomic quantum memory based on electromagnetically induced transparency. We show that nonclassical correlations are preserved between the heralding and the retrieved photons after storage process. By varying the intensity of the coupling field during retrieval process, we further demonstrate that the waveform or bandwidth of the single photons can be manipulated and the nonclassical correlation between the photon pairs can be even enhanced. Unlike previous works, our SPDC source is single mode in frequency, which not only reduces the experimental complexity arising from external filtering but also increases the useful photon generation rate. Our results can be scaled up with ease and thus lay the foundation for future realization of large-scale applications in quantum information processing.\n\n### [Dark states of multilevel fermionic atoms in doubly-filled optical  lattices](http://arxiv.org/abs/1907.05541v1) (1907.05541v1)\n<b>A. Piñeiro Orioli, A. M. Rey</b>\n\n<i>2019-07-12</i>\n> We propose to use fermionic atoms with degenerate ground and excited internal levels (![](http://latex2png.com/output//latex_db87705a2b3c087283742667c4210e00.png)), loaded into the motional ground state of an optical lattice with two atoms per lattice site, to realize dark states with no radiative decay. The physical mechanism behind the dark states is an interplay of Pauli blocking and multilevel dipolar interactions. The dark states are independent of lattice geometry, can support an extensive number of excitations and can be coherently prepared using a Raman scheme taking advantage of the quantum Zeno effect. These attributes make them appealing for atomic clocks, quantum memories, and quantum information on decoherence free subspaces.\n\n### [Quantum rotation sensing with dual Sagnac interferometrs in an  atom-optical waveguide](http://arxiv.org/abs/1907.05466v1) (1907.05466v1)\n<b>E. R. Moan, R. A. Horne, T. Arpornthip, Z. Luo, A. J. Fallon, S. J. Berl, C. A. Sackett</b>\n\n<i>2019-07-11</i>\n> Sensitive and accurate rotation sensing is a critical requirement for applications such as inertial navigation [1], north-finding [2], geophysical analysis [3], and tests of general relativity [4]. One effective technique used for rotation sensing is Sagnac interferometry, in which a wave is split, traverses two paths that enclose an area, and then recombined. The resulting interference signal depends on the rotation rate of the system and the area enclosed by the paths [5]. Optical Sagnac interferometers are an important component in present-day navigation systems [6], but suffer from limited sensitivity and stability. Interferometers using matter waves are intrinsically more sensitive and have demonstrated superior gyroscope performance [7-9], but the benefits have not been large enough to offset the substantial increase in apparatus size and complexity that atomic systems require. It has long been hoped that these problems might be overcome using atoms confined in a guiding potential or trap, as opposed to atoms falling in free space [10-12]. This allows the atoms to be supported against gravity, so a long measurement time can be achieved without requiring a large drop distance. The guiding potential can also be used to control the trajectory of the atoms, causing them to move in a circular loop that provides the optimum enclosed area for a given linear size [13]. Here we use such an approach to demonstrate a rotation measurement with Earth-rate sensitivity.\n\n### [Physical swap dynamics, shortcuts to relaxation and entropy production  in dissipative Rydberg gases](http://arxiv.org/abs/1812.02819v2) (1812.02819v2)\n<b>Ricardo Gutiérrez, Juan P. Garrahan, Igor Lesanovsky</b>\n\n<i>2018-12-06</i>\n> Dense Rydberg gases are out-of-equilibrium systems where strong density-density interactions give rise to effective kinetic constraints. They cause dynamic arrest associated with highly-constrained many-body configurations, leading to slow relaxation and glassy behavior. Multi-component Rydberg gases feature additional long-range interactions such as excitation-exchange. These are analogous to particle swaps used to artificially accelerate relaxation in simulations of atomistic models of classical glass formers. In Rydberg gases, however, swaps are real physical processes, which provide dynamical shortcuts to relaxation. They permit the accelerated approach to stationarity in experiment and at the same time have an impact on the non-equilibrium stationary state. In particular their interplay with radiative decay processes amplifies irreversibility of the dynamics, an effect which we quantify via the entropy production at stationarity. Our work highlights an intriguing analogy between real dynamical processes in Rydberg gases and artificial dynamics underlying advanced Monte Carlo methods. Moreover, it delivers a quantitative characterization of the dramatic effect swaps have on the structure and dynamics of their stationary state.\n\n### [Repeated Measurements with Minimally Destructive Partial-Transfer  Absorption Imaging](http://arxiv.org/abs/1907.05372v1) (1907.05372v1)\n<b>Erin Marshall Seroka, Ana Valdés Curiel, Dimitrios Trypogeorgos, Nathan Lundblad, Ian B. Spielman</b>\n\n<i>2019-07-11</i>\n> We demonstrate partial-transfer absorption imaging as a technique for repeatedly imaging an ultracold atomic ensemble with minimal perturbation. We prepare an atomic cloud in a state that is dark to the imaging light. We then use a microwave pulse to coherently transfer a small fraction of the ensemble to a bright state, which we image using in situ absorption imaging. The amplitude or duration of the microwave pulse controls the fractional transfer from the dark to the bright state. For small transfer fractions, we can image the atomic cloud up to 50 times before it is depleted. As a sample application, we repeatedly image an atomic cloud oscillating in a dipole trap to measure the trap frequency.\n\n### [Segmented ion-trap fabrication using high precision stacked wafers](http://arxiv.org/abs/1907.05329v1) (1907.05329v1)\n<b>Simon Ragg, Chiara Decaroli, Thomas Lutz, Jonathan P. Home</b>\n\n<i>2019-07-11</i>\n> We describe the use of laser-enhanced etching of fused silica in order to build multi-layer ion traps. This technique offers high precision of both machining and alignment of adjacent wafers. As examples of designs taking advantage of this possibility, we describe traps for realizing two key elements of scaling trapped ion systems. The first is a trap for a cavity-QED interface between single ions and photons, in which the fabrication allows shapes that provide good electro-static shielding of the ion from charge build-up on the mirror surfaces. The second incorporates two X-junctions allowing two-dimensional shuttling of ions. Here we are able to investigate designs which explore a trade-off between pseudo-potential barriers and confinement at the junction center. In both cases we illustrate the design constraints arising from the fabrication.\n\n### [Optimization of the atom interferometer phase produced by the set of  cylindrical source masses to measure the Newtonian gravity constant](http://arxiv.org/abs/1907.03352v2) (1907.03352v2)\n<b>B. Dubetsky</b>\n\n<i>2019-07-07</i>\n> An analytical expression for the gravitational field of a homogeneous cylinder is derived. The phase of the atom interferometer produced by the gravity field of the set of cylinders has been calculated. The optimal values of the initial positions and velocities of atomic clouds were obtained. It is shown that at equal sizes of the atomic cloud in the vertical and transverse directions, as well as at equal atomic vertical and transverse temperatures, systematic errors due to the finite size and temperature of the cloud disappear. It is shown that, although the gravitational field of the Earth does not affect the phase double difference, it continues to affect the measurement accuracy of this signal. To overcome this influence, it is proposed to use the technique of eliminating gravity-gradient terms. Nonlinear dependences of the phase on the uncertainties of atomic positions and velocities required us to modify the expression for the standard phase deviation. Moreover, such dependencies lead to a phase shift, which was also calculated. The relative accuracy of measurements of Newtonian gravitational constant 10^{-4} and 2*10^{-5} is predicted for sets of 24 and 630 cylinders, respectively.\n\n### [In-situ Raman gain between hyperfine ground states in a potassium  magneto-optical trap](http://arxiv.org/abs/1906.05756v2) (1906.05756v2)\n<b>Graeme Harvie, Adam Butcher, Jon Goldwin</b>\n\n<i>2019-06-13</i>\n> We study optical gain in a gas of cold 39K atoms. The gain is observed during operation of a conventional magneto-optical trap without the need for additional fields. Measurements of transmission spectra from a weak probe show that the gain is due to stimulated Raman scattering between hyperfine ground states. The experimental results are reproduced by a simplified six-level model, which also helps explain why such gain is not observed in similar experiments with rubidium or cesium.\n\n <br><hr> <center>Keeping updated in the latest research in atomic and molecular clusters!<br>https://cdn.steemitimages.com/DQmdFumnivXHMvLbaX5nwM5C25xz78ihBCE7kaukfJv4DMn/image.png<br></center>",
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      "body": "\n\n# <center>Atomic And Molecular Clusters</center> \n <hr> \n\n### [Photoemission from hybrid states of Cl@![](http://latex2png.com/output//latex_5729463bc0c4e7671fca08ffd65052f5.png) before and after a  stabilizing charge transfer](http://arxiv.org/abs/1907.04881v1) (1907.04881v1)\n<b>Dakota Shields, Ruma De, Mohamed El-Amine Madjet, Steven T. Manson, Himadri S. Chakraborty</b>\n\n<i>2019-07-10</i>\n> Photoionization calculations of the endofullerene molecule Cl@![](http://latex2png.com/output//latex_5729463bc0c4e7671fca08ffd65052f5.png) with an open-shell chlorine atom are performed in the time-dependent local density approximation (TDLDA) based on a spherical jellium model. Cross sections for atom-fullerene hybrid photoemission studied show the effects of the hybridization symmetry, the giant plasmon and the molecular cavity. Comparisons with the results of Ar@![](http://latex2png.com/output//latex_5729463bc0c4e7671fca08ffd65052f5.png) provide insights in the role of a shell-closing electron and its influence on the dynamics. The results for Cl@![](http://latex2png.com/output//latex_5729463bc0c4e7671fca08ffd65052f5.png) are further compared with those of a more stable, lower energy configuration that results after a ![](http://latex2png.com/output//latex_5729463bc0c4e7671fca08ffd65052f5.png) electron transfers to Cl forming Cl![](http://latex2png.com/output//latex_3db7472b2dff59a7a3b040ffb618bf6b.png)@![](http://latex2png.com/output//latex_ee916313db48bce2d6ae0419cf2ba985.png). This comparison reveals noticeable differences in the ionization properties of the antibonding hybrid state while the bonding hybrid remains nearly unaltered showing a magnification covering the entire giant plasmon energy range.\n\n### [Far-from-equilibrium dynamics of angular momentum in a quantum  many-particle system](http://arxiv.org/abs/1906.12238v2) (1906.12238v2)\n<b>Igor N. Cherepanov, Giacomo Bighin, Lars Christiansen, Anders Vestergaard Jørgensen, Richard Schmidt, Henrik Stapelfeldt, Mikhail Lemeshko</b>\n\n<i>2019-06-28</i>\n> We use laser-induced rotation of single molecules embedded in superfluid helium nanodroplets to reveal angular momentum dynamics and transfer in a controlled setting, under far-from-equilibrium conditions. As an unexpected result, we observe pronounced oscillations of time-dependent molecular alignment that have no counterpart in gas-phase molecules. Angulon theory reveals that these oscillations originate from the unique rotational structure of molecules in He droplets and quantum-state-specific transfer of rotational angular momentum to the many-body He environment on picosecond timescales. Our results pave the way to understanding collective effects of macroscopic angular momentum exchange in solid state systems in a bottom-up fashion.\n\n### [Pure Molecular Beam of Water Dimer](http://arxiv.org/abs/1904.08716v3) (1904.08716v3)\n<b>Helen Bieker, Jolijn Onvlee, Melby Johny, Lanhai He, Thomas Kierspel, Sebastian Trippel, Daniel A. Horke, Jochen Küpper</b>\n\n<i>2019-04-18</i>\n> Spatial separation of water dimer from water monomer and larger water-clusters through the electric deflector is presented. A beam of water dimer with ![](http://latex2png.com/output//latex_ca61ddd9b1f998e5374b4bc81ae29786.png) purity and a rotational temperature of ![](http://latex2png.com/output//latex_ec607a9f4fcada01f32410593914ce03.png)K was obtained. Following strong-field ionization using a ![](http://latex2png.com/output//latex_caab544be60cc49c4cb71474ecd4f4c4.png)fs laser pulse with a wavelength centered around ![](http://latex2png.com/output//latex_19035da93dd43f06de7a4b460492ee5a.png)nm and a peak intensity of ![](http://latex2png.com/output//latex_48ebbc4187b01af0a3ded434f1d02102.png) we observed proton transfer and ![](http://latex2png.com/output//latex_0d797493abbe903dd36673e46d03ba7f.png) of the ionized water dimer broke apart into a hydronium ion ![](http://latex2png.com/output//latex_1a62eade47618c1bcb2ba1bf3e089b71.png) and neutral OH.\n\n### [Structure determination of the tetracene dimer in helium nanodroplets  using femtosecond strong-field ionization](http://arxiv.org/abs/1907.03168v1) (1907.03168v1)\n<b>Constant Schouder, Adam S. Chatterley, Florent Calvo, Lars Christiansen, Henrik Stapelfeldt</b>\n\n<i>2019-07-06</i>\n> Dimers of tetracene molecules are formed inside helium nanodroplets and identified through covariance analysis of the emission directions of kinetic tetracene cations stemming from femtosecond laser-induced Coulomb explosion. Next, the dimers are aligned in either one or three dimensions under field-free conditions by a nonresonant, moderately intense laser pulse. The experimental angular covariance maps of the tetracene ions are compared to calculated covariance maps for seven different dimer conformations and found to be consistent with four of these. Additional measurements of the alignment-dependent strong-field ionization yield of the dimer narrows the possible conformations down to either a slipped-parallel or parallel-slightly-rotated structure. According to our quantum chemistry calculations, these are the two most stable gas-phase conformations of the dimer and one of them is favorable for singlet fission.\n\n### [Electronic structure of 3![](http://latex2png.com/output//latex_1074f36f338aecfb026d39bf4c338cdb.png)-transition-metal monoxide anions from ![](http://latex2png.com/output//latex_bfa22ce313d442bc6109d20d446fc94a.png)  calculations: ScO![](http://latex2png.com/output//latex_912cb8c2f72b9c2d544cbe2bbe262ad4.png), TiO![](http://latex2png.com/output//latex_912cb8c2f72b9c2d544cbe2bbe262ad4.png), CuO![](http://latex2png.com/output//latex_912cb8c2f72b9c2d544cbe2bbe262ad4.png), and ZnO![](http://latex2png.com/output//latex_912cb8c2f72b9c2d544cbe2bbe262ad4.png)](http://arxiv.org/abs/1907.02181v1) (1907.02181v1)\n<b>Young-Moo Byun, Serdar Öğüt</b>\n\n<i>2019-07-04</i>\n> The ![](http://latex2png.com/output//latex_bfa22ce313d442bc6109d20d446fc94a.png) approximation to many-body perturbation theory is a reliable tool for describing charged electronic excitations, and it has been successfully applied to a wide range of extended systems for several decades using a plane-wave basis. However, the ![](http://latex2png.com/output//latex_bfa22ce313d442bc6109d20d446fc94a.png) approximation has been used to test limited spectral properties of a limited set of finite systems (e.g. frontier orbital energies of closed-shell ![](http://latex2png.com/output//latex_abf8b8704071eddfeadd0ffa3c0d35b9.png) molecules) only for about a decade using a local-orbital basis. Here, we calculate the quasiparticle spectra of closed- and open-shell molecular anions with partially and completely filled 3![](http://latex2png.com/output//latex_1074f36f338aecfb026d39bf4c338cdb.png) shells (i.e. with shallow and deep 3![](http://latex2png.com/output//latex_1074f36f338aecfb026d39bf4c338cdb.png) states), ScO![](http://latex2png.com/output//latex_912cb8c2f72b9c2d544cbe2bbe262ad4.png), TiO![](http://latex2png.com/output//latex_912cb8c2f72b9c2d544cbe2bbe262ad4.png), CuO![](http://latex2png.com/output//latex_912cb8c2f72b9c2d544cbe2bbe262ad4.png), and ZnO![](http://latex2png.com/output//latex_912cb8c2f72b9c2d544cbe2bbe262ad4.png), using various levels of ![](http://latex2png.com/output//latex_bfa22ce313d442bc6109d20d446fc94a.png) theory, and compare them to experiments to evaluate the performance of the ![](http://latex2png.com/output//latex_bfa22ce313d442bc6109d20d446fc94a.png) approximation on the electronic structure of small molecules containing 3![](http://latex2png.com/output//latex_1074f36f338aecfb026d39bf4c338cdb.png) transition metals. We find that the ![](http://latex2png.com/output//latex_96b1247b8e11515b9d3ef5ffe46a0a95.png)-only eigenvalue-only self-consistent ![](http://latex2png.com/output//latex_bfa22ce313d442bc6109d20d446fc94a.png) scheme with ![](http://latex2png.com/output//latex_18c0c1f38ea799215bdbb8acae5d3708.png) fixed to the PBE level (![](http://latex2png.com/output//latex_2ce001b9b97f62745e15244f0b7d2d6c.png)@PBE), which gives the best compromise between accuracy and efficiency for solids, also gives good results for both localized (![](http://latex2png.com/output//latex_1074f36f338aecfb026d39bf4c338cdb.png)) and delocalized (![](http://latex2png.com/output//latex_abf8b8704071eddfeadd0ffa3c0d35b9.png)) states of transition metal oxide molecules. The success of ![](http://latex2png.com/output//latex_2ce001b9b97f62745e15244f0b7d2d6c.png)@PBE in predicting electronic excitations in these systems reasonably well is likely due to the fortuitous cancellation effect between the overscreening of the Coulomb interaction by PBE and the underscreening by the neglect of vertex corrections. Together with the absence of the self-consistent field convergence error (e.g. due to spin contamination in open-shell systems) and the ![](http://latex2png.com/output//latex_bfa22ce313d442bc6109d20d446fc94a.png) multi-solution issue, the ![](http://latex2png.com/output//latex_2ce001b9b97f62745e15244f0b7d2d6c.png)@PBE scheme gives the possibility to predict the electronic structure of complex real systems (e.g. molecule-solid and ![](http://latex2png.com/output//latex_abf8b8704071eddfeadd0ffa3c0d35b9.png)-![](http://latex2png.com/output//latex_1074f36f338aecfb026d39bf4c338cdb.png) hybrid systems) accurately and efficiently.\n\n### [Reexamination of Tolman's law and the Gibbs adsorption equation for  curved interfaces](http://arxiv.org/abs/1703.08719v2) (1703.08719v2)\n<b>Martin Thomas Horsch, Stefan Becker, Michaela Heier, Jayant Kumar Singh, Felix Diewald, Ralf Müller, George Jackson, Jadran Vrabec, Hans Hasse</b>\n\n<i>2017-03-25</i>\n> In manuscript arXiv:1703.08719 [cond-mat.soft], it was claimed that the well-known deduction of Tolman's law is not rigorous, since Tolman's argument implies that two different definitions of the surface tension, called ![](http://latex2png.com/output//latex_03b3d3c34db979f91f61324978833de2.png) and ![](http://latex2png.com/output//latex_e0a5da2bd07a662ae936e62337b81e25.png) in the manuscript, coincide. This claim is retracted as it can be shown by free-energy minimization that ![](http://latex2png.com/output//latex_0a7c5e2c31f3bd0dd90cefa1e0559456.png) indeed holds for the Laplace radius. Joachim Gro\\ss, Philipp Rehner, Carlos Vega, \\O{}ivind Wilhelmsen, and the anonymous reviewers of The Journal of Chemical Physics contributed to finding the mistake in the manuscript.\n\n### [Molecular size effects on diffraction resonances in positronium  formation from fullerenes](http://arxiv.org/abs/1907.01900v1) (1907.01900v1)\n<b>Paul-Antoine Hervieux, Anzumaan R. Chakraborty, Himadri S. Chakraborty</b>\n\n<i>2019-07-01</i>\n> We previously predicted [P.A. Hervieux et al., Phys. Rev. A \\textbf{95}, 020701 (2017)] that owing to predominant electron capture by incoming positrons from the molecular shell, C![](http://latex2png.com/output//latex_96b1931ba3e95dc39bd156fdd035f413.png) acts like a spherical diffractor inducing resonances in the positronium (Ps) formation as a function of the positron impact energy. By extending the study for a larger C![](http://latex2png.com/output//latex_8255f5fe63f04ce3162ecfec33a2afca.png) fullerene target, we now demonstrate that the diffraction resonances compactify in energy in analogy with the shrinking fringe separation for larger slit size in classical single-slit experiment. The result brings further impetus for conducting Ps spectroscopic experiments with fullerene targets, including target- and/or captured-level differential measurements. The ground states of the fullerenes are modeled in a spherical jellium frame of the local density approximation (LDA) method with the exchange-correlation functional based on the van Leeuween and Baerends (LB94) model potential, while the positron impact and Ps formation are treated in the continuum distorted-wave final state (CDW-FS) approximation.\n\n### [Controlling Sub-Cycle Optical Chirality in the Photoionization of Chiral  Molecules](http://arxiv.org/abs/1906.11325v2) (1906.11325v2)\n<b>Shaked Rozen, Antoine Comby, Etienne Bloch, Sandra Beauvarlet, Dominique Descamps, Baptiste Fabre, Stephane Petit, Valerie Blanchet, Bernard Pons, Nirit Dudovich, Yann Mairesse</b>\n\n<i>2019-06-26</i>\n> Controlling the polarization state of electromagnetic radiation enables the investigation of fundamental symmetry properties of matter through chiroptical processes. Many strategies have been developed to reveal structural or dynamical information about chiral molecules, from the microwave to the extreme ultraviolet range. Most schemes employ circularly or elliptically polarized radiation, and more sophisticated configurations involve, for instance, light pulses with time-varying polarization states. In all these schemes, the polarization state of light is always considered as constant over one optical cycle. In this study, we zoom into the optical cycle in order to resolve and control a subcyle attosecond chiroptical process. We engineer an electric field whose instantaneous chirality can be controlled within the optical cycle, by combining two phase-locked orthogonally polarized fundamental and second harmonic fields. While the composite field has zero net ellipticity, it shows an instantaneous optical chirality which can be controlled via the two-color delay. We theoretically and experimentally investigate the photoionization of chiral molecules with this controlled chiral field. We find that electrons are preferentially ejected forward or backward relative to the laser propagation direction depending on the molecular handedness, similarly to the well-established photoelectron circular dichroism process. However, since the instantaneous chirality switches sign from one half cycle to the next, electrons ionized from two consecutive half cycles of the laser show opposite forward/backward asymmetries. This chiral signal provides a unique insight into the influence of instantaneous chirality in the dynamical photoionization process. Our results demonstrate the important role of sub-cycle polarization shaping of electric fields, as a new route to study and manipulate chiroptical processes.\n\n### [Interactions of benzene, naphthalene, and azulene with alkali-metal and  alkaline-earth-metal atoms for ultracold studies](http://arxiv.org/abs/1903.01378v2) (1903.01378v2)\n<b>Paweł Wójcik, Tatiana Korona, Michał Tomza</b>\n\n<i>2019-03-04</i>\n> We consider collisional properties of polyatomic aromatic hydrocarbon molecules immersed into ultracold atomic gases and investigate intermolecular interactions of exemplary benzene, naphthalene, and azulene with alkali-metal (Li, Na, K, Rb, Cs) and alkaline-earth-metal (Mg, Ca, Sr, Ba) atoms. We apply the state-of-the-art \\textit{ab initio} techniques to compute the potential energy surfaces (PESs). We use the coupled cluster method restricted to single, double, and noniterative triple excitations to reproduce the correlation energy and the small-core energy-consistent pseudopotentials to model the scalar relativistic effects in heavier metal atoms. We also report the leading long-range isotropic and anisotropic dispersion and induction interaction coefficients. The PESs are characterized in detail and the nature of intermolecular interactions is analyzed and benchmarked using symmetry-adapted perturbation theory. The full three-dimensional PESs are provided for selected systems within the atom-bond pairwise additive representation and can be employed in scattering calculations. Presented study of the electronic structure is the first step towards the evaluation of prospects for sympathetic cooling of polyatomic aromatic molecules with ultracold atoms. We suggest azulene, an isomer of naphthalene which possesses a significant permanent electric dipole moment and optical transitions in the visible range, as a promising candidate for electric field manipulation and buffer-gas or sympathetic cooling.\n\n### [Tracking Attosecond Electronic Coherences Using Phase-Manipulated  Extreme Ultraviolet Pulses](http://arxiv.org/abs/1906.07112v2) (1906.07112v2)\n<b>Andreas Wituschek, Lukas Bruder, Enrico Allaria, Ulrich Bangert, Marcel Binz, Carlo Callegari, Giulio Cerullo, Paolo Cinquegrana, Luca Gianessi, Miltcho Danailov, Alexander Demidovich, Michele Di Fraia, Marcel Drabbels, Raimund Feifel, Tim Laarmann, Rupert Michiels, Najmeh Sadat Mirian, Marcel Mudrich, Ivaylo Nikolov, Finn H. O'Shea, Giuseppe Penco, Paolo Piseri, Oksana Plekan, Kevin Charles Prince, Andreas Przystawik, Primož Rebernik Ribič, Giuseppe Sansone, Paolo Sigalotti, Simone Spampinati, Carlo Spezzani, Richard James Squibb, Stefano Stranges, Daniel Uhl, Frank Stienkemeier</b>\n\n<i>2019-06-17</i>\n> The recent development of novel extreme ultraviolet (XUV) coherent light sources bears great potential for a better understanding of the structure and dynamics of matter. Promising routes are advanced coherent control and nonlinear spectroscopy schemes in the XUV energy range, yielding unprecedented spatial and temporal resolution. However, their implementation has been hampered by the experimental challenge of generating XUV pulse sequences with precisely controlled timing and phase properties. In particular, direct control and manipulation of the phase of individual pulses within a XUV pulse sequence opens exciting new possibilities for coherent control and multidimensional spectroscopy schemes, but has not been accomplished. Here, we overcome these constraints in a highly time-stabilized and phase-modulated XUV-pump, XUV-probe experiment which directly probes the evolution and dephasing of an inner subshell electronic coherence. This new approach, avoiding any XUV optics for direct pulse manipulation, opens up extensive applications of advanced nonlinear optics and spectroscopy at XUV wavelengths.\n\n <br><hr> <center>Keeping updated in the latest research in atomic and molecular clusters!<br>https://cdn.steemitimages.com/DQmdFumnivXHMvLbaX5nwM5C25xz78ihBCE7kaukfJv4DMn/image.png<br></center>",
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      "body": "\n\n# <center>Atomic Physics</center> \n <hr> \n\n### [Repeated Measurements with Minimally Destructive Partial-Transfer  Absorption Imaging](http://arxiv.org/abs/1907.05372v1) (1907.05372v1)\n<b>Erin Marshall Seroka, Ana Valdés Curiel, Dimitrios Trypogeorgos, Nathan Lundblad, Ian B. Spielman</b>\n\n<i>2019-07-11</i>\n> We demonstrate partial-transfer absorption imaging as a technique for repeatedly imaging an ultracold atomic ensemble with minimal perturbation. We prepare an atomic cloud in a state that is dark to the imaging light. We then use a microwave pulse to coherently transfer a small fraction of the ensemble to a bright state, which we image using in situ absorption imaging. The amplitude or duration of the microwave pulse controls the fractional transfer from the dark to the bright state. For small transfer fractions, we can image the atomic cloud up to 50 times before it is depleted. As a sample application, we repeatedly image an atomic cloud oscillating in a dipole trap to measure the trap frequency.\n\n### [Segmented ion-trap fabrication using high precision stacked wafers](http://arxiv.org/abs/1907.05329v1) (1907.05329v1)\n<b>Simon Ragg, Chiara Decaroli, Thomas Lutz, Jonathan P. Home</b>\n\n<i>2019-07-11</i>\n> We describe the use of laser-enhanced etching of fused silica in order to build multi-layer ion traps. This technique offers high precision of both machining and alignment of adjacent wafers. As examples of designs taking advantage of this possibility, we describe traps for realizing two key elements of scaling trapped ion systems. The first is a trap for a cavity-QED interface between single ions and photons, in which the fabrication allows shapes that provide good electro-static shielding of the ion from charge build-up on the mirror surfaces. The second incorporates two X-junctions allowing two-dimensional shuttling of ions. Here we are able to investigate designs which explore a trade-off between pseudo-potential barriers and confinement at the junction center. In both cases we illustrate the design constraints arising from the fabrication.\n\n### [Optimization of the atom interferometer phase produced by the set of  cylindrical source masses to measure the Newtonian gravity constant](http://arxiv.org/abs/1907.03352v2) (1907.03352v2)\n<b>B. Dubetsky</b>\n\n<i>2019-07-07</i>\n> An analytical expression for the gravitational field of a homogeneous cylinder is derived. The phase of the atom interferometer produced by the gravity field of the set of cylinders has been calculated. The optimal values of the initial positions and velocities of atomic clouds were obtained. It is shown that at equal sizes of the atomic cloud in the vertical and transverse directions, as well as at equal atomic vertical and transverse temperatures, systematic errors due to the finite size and temperature of the cloud disappear. It is shown that, although the gravitational field of the Earth does not affect the phase double difference, it continues to affect the measurement accuracy of this signal. To overcome this influence, it is proposed to use the technique of eliminating gravity-gradient terms. Nonlinear dependences of the phase on the uncertainties of atomic positions and velocities required us to modify the expression for the standard phase deviation. Moreover, such dependencies lead to a phase shift, which was also calculated. The relative accuracy of measurements of Newtonian gravitational constant 10^{-4} and 2*10^{-5} is predicted for sets of 24 and 630 cylinders, respectively.\n\n### [In-situ Raman gain between hyperfine ground states in a potassium  magneto-optical trap](http://arxiv.org/abs/1906.05756v2) (1906.05756v2)\n<b>Graeme Harvie, Adam Butcher, Jon Goldwin</b>\n\n<i>2019-06-13</i>\n> We study optical gain in a gas of cold 39K atoms. The gain is observed during operation of a conventional magneto-optical trap without the need for additional fields. Measurements of transmission spectra from a weak probe show that the gain is due to stimulated Raman scattering between hyperfine ground states. The experimental results are reproduced by a simplified six-level model, which also helps explain why such gain is not observed in similar experiments with rubidium or cesium.\n\n### [Comparison of three approaches to light scattering by dilute cold atomic  ensembles](http://arxiv.org/abs/1902.04289v2) (1902.04289v2)\n<b>Igor M. Sokolov, William Guerin</b>\n\n<i>2019-02-12</i>\n> Collective effects in atom-light interaction is of great importance for cold-atom-based quantum devices or fundamental studies on light transport in complex media. Here we discuss and compare three different approaches to light scattering by dilute cold atomic ensembles. The first approach is a coupled-dipole model, valid at low intensity, which includes cooperative effects, like superradiance, and other coherent properties. The second one is a random-walk model, which includes classical multiple scattering and neglects coherence effects. The third approach is a crude approximation only based on the attenuation of the excitation beam inside the medium, the so-called \"shadow effect\". We show that in the case of a low-density sample, the random walk approach is an excellent approximation for steady-state light scattering, and that the shadow effect surprisingly gives rather accurate results at least up to optical depths on the order of 15.\n\n### [QED theory of elastic electron scattering on hydrogen-like ions  involving formation and decay of autoionizing states](http://arxiv.org/abs/1907.05133v1) (1907.05133v1)\n<b>K. N. Lyashchenko, D. M. Vasileva, O. Yu. Andreev, A. B. Voitkiv</b>\n\n<i>2019-07-11</i>\n> We develop {\\it ab initio} relativistic QED theory for elastic electron scattering on hydrogen-like highly charged ions for impact energies where, in addition to direct (Coulomb) scattering, the process can also proceed via formation and consequent Auger decay of autoionizing states of the corresponding helium-like ions. Even so the primary goal of the theory is to treat electron scattering on highly charged ions, a comparison with experiment shows that it can also be applied for relatively light ions covering thus a very broad range of the scattering systems. Using the theory we performed calculations for elastic electron scattering on B![](http://latex2png.com/output//latex_97bb924b3a8294d5f59da19221bf038a.png), Ca![](http://latex2png.com/output//latex_59c9c692f25c5fabb41972a7240f6d44.png), Fe![](http://latex2png.com/output//latex_db1b9b9f45985ee5208612720498555b.png), Kr![](http://latex2png.com/output//latex_4834bbf6374c1d2a1f6ee5988c7f9751.png), and Xe![](http://latex2png.com/output//latex_d99f928126e9bec1f9ebb1c7bff5ab86.png). The theory was also generalized for collisions of hydrogen-like highly charged ions with atoms considering the latter as a source of (quasi-) free electrons.\n\n### [Nonrigidity effects -- a missing puzzle piece in the description of  low-energy anisotropic molecular collisions](http://arxiv.org/abs/1907.05130v1) (1907.05130v1)\n<b>Mariusz Pawlak, Piotr S. Żuchowski, Nimrod Moiseyev, Piotr Jankowski</b>\n\n<i>2019-07-11</i>\n> Cold collisions serve as a very sensitive probe of the interaction potential. In the recent study of Klein et al. (Nature Phys. 13, 35-38 (2017)) the one-parameter scaling of the interaction potential was necessary to obtain agreement between theoretical and observed patterns of the orbiting resonances for excited metastable helium atoms colliding with hydrogen molecules. Here we show that the effect of nonrigidity of the H![](http://latex2png.com/output//latex_4223ec05912b994c2067ff9b6a5e0098.png) molecule on the resonant structure, absent in the previous study, is critical to predict correct positions of the resonances in that case. We have complemented the theoretical description of the interaction potential and revised reaction rate coefficients by proper inclusion of the flexibility of the molecule. The calculated reaction rate coefficients are in remarkable agreement with the experimental data without empirical adjustment of the interaction potential. We have shown that even state-of-the-art calculations of the interaction energy cannot ensure agreement with the experiment if such an important physical effect as flexibility of the interacting molecule is neglected. Our findings about the significance of the nonrigidity effects can be especially crucial in cold chemistry, where the quantum nature of molecules is pronounced.\n\n### [Bethe logarithm for the helium atom](http://arxiv.org/abs/1905.08248v2) (1905.08248v2)\n<b>Vladimir I. Korobov</b>\n\n<i>2019-05-20</i>\n> The Bethe logarithm for a large set of states of the helium atom is calculated with a precision of 12-14 significant digits. The numerical data is obtained for the case of infinite mass of a nucleus. Then we study the mass dependence and provide coefficients of the ![](http://latex2png.com/output//latex_b9313c71b13d4b1ef5412e4ff13d7bc3.png) expansion, which allows us to calculate accurate values for the Bethe logarithm for any finite mass. An asymptotic expansion for the Rydberg states is analyzed and a high-quality numerical approximation is found, which ensures 7-8 digit accuracy for the ![](http://latex2png.com/output//latex_b1ad1296a99a7ee91c1c30beb874e181.png), ![](http://latex2png.com/output//latex_d90a8d4c5abfc6fc515ba7889bfa470b.png), and ![](http://latex2png.com/output//latex_77975818c89f286880754cd96ffb2458.png) states of the helium atom.\n\n### [Seed and vacuum pair production in strong laser field](http://arxiv.org/abs/1907.03786v2) (1907.03786v2)\n<b>Huayu Hu</b>\n\n<i>2019-07-08</i>\n> Researches on the electron-positron pair production in the presence of the intense laser field are reviewed, motivated by the theoretical importance of the nonperturbative QED problem and the worldwide development of the strong laser facilities. According to distinct experimental requirements and theoretical methods, two types of pair production are elaborated, which are respectively the pair production in the combination of a seed particle and the strong laser, and vacuum pair production without a seed particle. The origin of the nonperturbative problem caused by the strong field is analyzed. The main ideas, realization, achievements, validity, challenges and bottleneck problems of the nonperturbative methods developed for each type of the pair production problem are discussed.\n\n### [Shortcuts to adiabaticity by counterdiabatic driving for trapped-ion  displacement in phase space](http://arxiv.org/abs/1601.05551v3) (1601.05551v3)\n<b>Shuoming An, Dingshun Lv, Adolfo del Campo, Kihwan Kim</b>\n\n<i>2016-01-21</i>\n> The application of adiabatic protocols in quantum technologies is severely limited by environmental sources of noise and decoherence. Shortcuts to adiabaticity by counterdiabatic driving constitute a powerful alternative that speed up time-evolution while mimicking adiabatic dynamics. Here we present the first experimental implementation of counterdiabatic driving in a continuous variable system, a shortcut to the adiabatic transport of a trapped ion in the phase space. The resulting dynamics is equivalent to a \"fast-motion video\" of the adiabatic trajectory. The robustness of this protocol is shown to surpass that of competing schemes based on classical local controls and Fourier optimization methods. Our results demonstrate that shortcuts to adiabaticity provide a robust speedup of quantum protocols of wide applicability in quantum technologies.\n\n <br><hr> <center>Keeping updated in the latest research in atomic and molecular clusters!<br>https://cdn.steemitimages.com/DQmdFumnivXHMvLbaX5nwM5C25xz78ihBCE7kaukfJv4DMn/image.png<br></center>",
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