Recovery of high-energy photoelectron circular dichroism through Fano interferenceIt is commonly accepted that the magnitude of a photoelectron circular dichroism (PECD) is governed by the ability of an outgoing photoelectron wave packet to probe the chiral asymmetry of a…G. Hartmann, M. Ilchen, Ph. Schmidt et al.·Jun 25, 2019SaveLearn
Relaxation dynamics and genuine properties of the solvated electron in neutral water clustersWe have investigated the solvation dynamics and the genuine binding energy and photoemission anisotropy of the solvated electron in neutral water clusters with a combination of time-resolved…Thomas E. Gartmann, Loren Ban, Bruce L. Yoder et al.·Jun 20, 2019SaveLearn
Fast reconstruction of single-shot wide-angle diffraction images through deep learningSingle-shot X-ray imaging of short-lived nanostructures such as clusters and nanoparticles near a phase transition or non-crystalizing objects such as large proteins and viruses is currently the most…Thomas Stielow, Robin Schmidt, Christian Peltz et al.·Jun 17, 2019SaveLearn
Time delay of slow electrons-endohedral elastic scatteringWe discuss the temporal picture of electron collisions with fullerene. Within the framework of a Dirac bubble potential model for the fullerene shell, we calculate the time delay in slow-electron…M. Ya. Amusia, A. S. Baltenkov·Jun 16, 2019SaveLearn
Intershell correlations in endohedral atomsWe have calculated partial contributions of different endohedral and atomic subshells to the total dipole sum rule in the frame of the random phase approximation with exchange (RPAE) and found that…M. Ya. Amusia, L. V. Chernysheva·Jun 16, 2019SaveLearn
The Ratio Law of the Structure Evolution and Stability for TinOm (n=3-18, m=1-2n) ClustersMost theoretical investigations about titanium oxide clusters focus on (TiO2)n. However, many TinOm clusters with m≠ 2n are produced experimentally. In this work, first-principles…Hongbo Du, Yu Jia, Chunyao Niu et al.·Jun 3, 2019SaveLearn
Dissociation dynamics in the dissociative electron attachment to ammonia moleculeComplete dissociation dynamics of low energy electron attachment to ammonia molecule has been studied using velocity slice imaging (VSI) spectrometer. One low energy resonant peak around 5.5 eV and a…Dipayan Chakraborty, Aranya Giri, Dhananjay Nandi·May 27, 2019SaveLearn
The water-carbon monoxide dimer: new infrared spectra, ab initio rovibrational energy level calculations, and an interesting intermolecular modeRovibrational energy level calculations using a high-level intermolecular potential surface are reported for H2O-CO and D2O-CO. They predict the ground K = 1 levels to lie about 20 (12) cm-1 above K…A. Barclay, A. van der Avoird, A. R. W. McKellar et al.·May 26, 2019SaveLearn
Photoionization of Molecular EndohedralsWe calculate the photoionization cross-section of a molecular endohedral. We limit ourselves to two-atomic molecules. The consideration is much more complex than for atomic endohedrals because the…M. Ya. Amusia, L. V. Chernysheva, S. K. Semenov·May 23, 2019SaveLearn
Metrology of time-domain soft X-ray attosecond pulses and re-evaluation of pulse durations of three recent experimentsAttosecond pulses in the soft-X-ray (SXR) to water-window energy region offer the tools for creating and studying target specific localized inner-shell electrons or holes in materials, enable…Zhao Xi, Wang Su-Ju, Yu Wei-Wei et al.·May 23, 2019SaveLearn
Coherent multidimensional spectroscopy in the gas phaseRecent work applying multidimentional coherent electronic spectroscopy at dilute samples in the gas phase is reviewed. The development of refined phase-cycling approaches with improved sensitivity…Lukas Bruder, Ulrich Bangert, Marcel Binz et al.·May 15, 2019SaveLearn
Ultrafast relaxation of photoexcited superfluid He nanodropletsThe relaxation of photoexcited nanosystems is a fundamental process of light-matter interaction. Depending on the couplings of the internal degrees of freedom, relaxation can be ultrafast, converting…M. Mudrich, A. LaForge, F. Stienkemeier et al.·May 11, 2019SaveLearn
Proton-impact-induced electron emission from biologically relevant molecules studied with a screened independent atom modelWe use the recently introduced independent-atom-model pixel counting method to calculate proton-impact net ionization cross sections for a large class of biologically relevant systems including…Hans Jürgen Lüdde, Marko Horbatsch, Tom Kirchner·May 6, 2019SaveLearn
Pure Molecular Beam of Water DimerSpatial separation of water dimer from water monomer and larger water-clusters through the electric deflector is presented. A beam of water dimer with 93~\% purity and a rotational temperature of…Helen Bieker, Jolijn Onvlee, Melby Johny et al.·Apr 18, 2019SaveLearn
Spectra of the D2O dimer in the O-D fundamental stretch region: vibrational dependence of tunneling splittings and lifetimesThe fundamental O-D stretch region (2600 - 2800 cm-1) of the fully deuterated water dimer, (D2O)2, is studied using a pulsed supersonic slit jet source and a tunable optical parametric oscillator…A. J. Barclay, A. R. W. McKellar, N. Moazzen-Ahmadi·Mar 15, 2019SaveLearn
Magnetic excitations in the trimeric compounds A3Cu3(PO4)4 (A = Ca, Sr, Pb)We study the magnetic excitations of the trimeric magnetic compounds A3Cu3(PO4)4 (A = Ca, Sr, Pb). The spectra are analyzed in terms of the Heisenberg model and a generic spin Hamiltonian…M. Georgiev, H. Chamati·Mar 11, 2019SaveLearn
Simulating the structural diversity of carbon clusters across the planar to fullerene transitionTogether with the second generation REBO reactive potential, replica-exchange molecular dynamics simulations coupled with systematic quenching were used to generate a broad set of isomers for neutral…Maëlle A. Bonnin, Cyril Falvo, Florent Calvo et al.·Feb 25, 2019SaveLearn
Magic Numbers for the Photoelectron Anisotropy in Li-Doped Dimethyl Ether ClustersPhotoelectron velocity map imaging of Li(CH3OCH3)n clusters (1 ≤ n ≤ 175) is used to search for magic numbers related to the photoelectron anisotropy. Comparison with density…Jonathan V. Barnes, Bruce L. Yoder, Ruth Signorell·Feb 25, 2019SaveLearn
Autoionization dynamics of He nanodroplets resonantly excited by intense XUV laser pulsesThe ionization dynamics of helium droplets in a wide size range from 220 to 106 He atoms irradiated with intense femtosecond extreme ultraviolet (XUV) pulses of 109 1012 W/cm2 power…Y. Ovcharenko, A. LaForge, B. Langbehn et al.·Feb 14, 2019SaveLearn
Dissociative electron attachment to pulsed supersonic O2 jet : Violation of + - selection rule and dependence on carrier gas proportionThe formation of O- and O2- ions via dissociative electron attachment to a pulsed supersonic jet of O2 molecules containing weakly bound small van der Waals clusters seeded in a…Irina Jana, Varun Ramaprasad, Dhananjay Nandi·Feb 14, 2019SaveLearn
Infrared bands of CS2 dimer and trimer at 4.5 cm-1We report observation of new infrared bands of (CS2)2 and (CS2)3 in the region of the CS2 1+ 3 combination band (at 4.5 cm-1) using a quantum cascade laser. The complexes are formed in a…A. J. Barclay, K. Esteki, K. H. Michaelian et al.·Feb 9, 2019SaveLearn
On the nature of the positronic bondRecently it has been proposed that the positron, the anti-particle analog of the electron, is capable of forming an anti-matter bond in a composite system of two hydride anions and a positron [Angew.…Mohammad Goli, Shant Shahbazian·Feb 8, 2019SaveLearn
Unraveling the Metastability of Cn2+ (n=2-4) ClustersPure carbon clusters have received considerable attention for a long time. However, fundamental questions such as what the smallest stable carbon cluster dication is remain unclear. Here, we…Zirong Peng, David Zanuttini, Benoit Gervais et al.·Feb 3, 2019SaveLearn
Weakly bound LiHe2 molecules in the framework of three-dimensional Faddeev equationsA method of direct solution of the Faddeev equations for the bound-state problem with zero total angular momentum is used to calculate the binding energies. The results for binding energies of…E. A. Kolganova, V. Roudnev·Feb 1, 2019SaveLearn
Monopole polarization of C60 fullerene shellWe analyze using Poisson equation the spatial distributions of the positive charge of carbon atomic nuclei shell and negative charge of electron clouds forming the electrostatic potential of the C60…M. Ya. Amusia, A. S. Baltenkov·Jan 13, 2019SaveLearn