Electron capture and ionization cross-section calculations for proton collisions from methane and the DNA and RNA nucleobasesNet 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…Hans Juergen Luedde, Marko Horbatsch, Tom Kirchner·Jul 15, 2019SaveLearn
The most stable isomer of H2C4-(OCS)2 van der Waals complex: Theory and experiment agree on a structure with C2 symmetryWe report the infrared spectrum of H2C4-(OCS)2 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…A. J. Barclay, A. Pietropolli Charmet, N. Moazzen-Ahmadi·Jul 12, 2019SaveLearn
Photoemission from hybrid states of Cl@C60 before and after a stabilizing charge transferPhotoionization calculations of the endofullerene molecule Cl@C60 with an open-shell chlorine atom are performed in the time-dependent local density approximation (TDLDA) based on a spherical…Dakota Shields, Ruma De, Mohamed El-Amine Madjet et al.·Jul 10, 2019SaveLearn
Structure determination of the tetracene dimer in helium nanodroplets using femtosecond strong-field ionizationDimers of tetracene molecules are formed inside helium nanodroplets and identified through covariance analysis of the emission directions of kinetic tetracene cations stemming from femtosecond…Constant Schouder, Adam S. Chatterley, Florent Calvo et al.·Jul 6, 2019SaveLearn
Molecular size effects on diffraction resonances in positronium formation from fullerenesWe previously predicted [P.A. Hervieux et al., Phys. Rev. A 95, 020701 (2017)] that owing to predominant electron capture by incoming positrons from the molecular shell, C60 acts like a…Paul-Antoine Hervieux, Anzumaan R. Chakraborty, Himadri S. Chakraborty·Jul 1, 2019SaveLearn
Far-from-equilibrium dynamics of angular momentum in a quantum many-particle systemWe 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…Igor N. Cherepanov, Giacomo Bighin, Lars Christiansen et al.·Jun 28, 2019SaveLearn
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 density is…Y. Ovcharenko, A. LaForge, B. Langbehn et al.·Feb 14, 2019SaveLearn