Disentangling multipole contributions to collective excitations in fullerenesAngular resolved electron energy-loss spectroscopy (EELS) gives access to the momentum and the energy dispersion of electronic excitations and allows to explore the transition from individual to…Michael Schüler, Jamal Berakdar, Yaroslav Pavlyukh·Jul 15, 2015SaveLearn
Covalent features in the hydrogen bond of a water dimer: molecular orbital analysisThe covalent-like characteristics of hydrogen bonds offer a new perspective on intermolecular interactions. Here, using density functional theory and post-Hartree-Fock methods, we reveal that there…Bo Wang, Wanrun Jiang, Xing Dai et al.·Jul 8, 2015SaveLearn
Theoretical tools for simulations of cluster dynamics in strong laser pulsesThe main theoretical tools used in the physics of cluster-laser interaction are discussed starting from the basic principles of Quantum Mechanics and ending with purely classical methods. The…Dragos I. Palade·Jul 5, 2015SaveLearn
Dynamics of solvation and desolvation of rubidium attached to He nanodropletsThe real-time dynamics of photoexcited and photoionized rubidium (Rb) atoms attached to helium (He) nanodroplets is studied by femtosecond pump-probe mass spectrometry. While excited Rb atoms in the…J. von Vangerow, O. John, andF. Stienkemeier et al.·Jul 2, 2015SaveLearn
Anion emission from water molecules colliding with positive ions: Identification of binary and many-body processesIt is shown that negative ions are ejected from gas-phase water molecules when bombarded with positive ions at keV energies typical of solar-wind velocities. This finding is relevant for studies of…J. -Y. Chesnel, Z. Juhász, E. Lattouf et al.·Jun 30, 2015SaveLearn
Excited States of Proton-bound DNA/RNA Base Homo-dimers: PyrimidinesWe are presenting the electronic photo fragment spectra of the protonated pyrimidine DNA bases homo-dimers. Only the thymine dimer exhibits a well structured vibrational progression, while protonated…Géraldine Féraud, Matias Berdakin, Claude Dedonder et al.·Jun 18, 2015SaveLearn
Ion-Induced Dipole Interactions and Fragmentation Times : Cα -Cβ Chromophore Bond Dissociation ChannelThe fragmentation times corresponding to the loss of the chromophore (Cα-- Cβ bond dissociation channel) after photoexcitation at 263 nm have been investigated for several small peptides…Satchin Soorkia, Christophe Dehon, Sunil Kumar et al.·Jun 18, 2015SaveLearn
Strongly aligned gas-phase molecules at Free-Electron LasersWe demonstrate a novel experimental implementation to strongly align molecules at full repetition rates of free-electron lasers. We utilized the available in-house laser system at the coherent x-ray…Thomas Kierspel, Joss Wiese, Terry Mullins et al.·Jun 11, 2015SaveLearn
Geometric, electronic and magnetic structure of FexOy+ clustersCorrelation between geometry, electronic structure and magnetism of solids is both intriguing and elusive. This is particularly strongly manifested in small clusters, where a vast number of unusual…R. Logemann, G. A. de Wijs, M. I. Katsnelson et al.·Jun 8, 2015SaveLearn
Structural information about the Ar6 cluster with the frozen Gaussian imaginary time propagatorA numerically cheap way to obtain structural information about clusters of rare gas atoms at low temperatures is developed. The semiclassical frozen Gaussian imaginary time propagator is extended…Holger Cartarius·Jun 4, 2015SaveLearn
Probing Atomic Structure and Majorana Wavefunctions in Mono-Atomic Fe-chains on Superconducting Pb-SurfaceMotivated by the striking promise of quantum computation, Majorana bound states (MBSs) in solid-state systems have attracted wide attention in recent years. In particular, the wavefunction…Remy Pawlak, Marcin Kisiel, Jelena Klinovaja et al.·May 22, 2015SaveLearn
On the analysis of photo-electron spectraWe analyze Photo-Electron Spectra (PES) for a variety of excitation mechanisms from a simple mono-frequency laser pulse to involved combination of pulses as used, e.g., in attosecond experiments. In…C. -Z. Gao, P. M. Dinh, P. -G. Reinhard et al.·May 19, 2015SaveLearn
Organic photovoltaics without p-n junctions: Computational study of ferroelectric columnar molecular clustersStructural and electronic properties of ferroelectric columnar clusters constructed from benzene-1,3,5-tricarboxylic acid, (B3CA)n, were investigated at the Hartree-Fock level. It is shown that B3CA…Andrzej L. Sobolewski·May 4, 2015SaveLearn
Slow electrons from clusters in strong Xray pulsesElectrons released from clusters through strong Xray pulses show broad kinetic-energy spectra, extending from the atomic excess energy down to the threshold, where usually a strong peak appears.…A. Camacho Garibay, U. Saalmann, J. M. Rost·May 4, 2015SaveLearn
Size dependent phase diagrams of Nickel-Carbon nanoparticlesThe carbon rich phase diagrams of nickel-carbon nanoparticles, relevant to catalysis and catalytic chemical vapor deposition synthesis of carbon nanotubes, are calculated for system sizes up to about…Yann Magnin, Alexandre Zappelli, Hakim Amara et al.·Apr 23, 2015SaveLearn
Theoretical Study of Molecular Electronic and Rotational Coherences by High-Harmonic GenerationThe detection of electron motion and electronic wavepacket dynamics is one of the core goals of attosecond science. Recently, choosing the nitric oxide (NO) molecule as an example, we have introduced…Song Bin Zhang, Denitsa Baykusheva, Peter M. Kraus et al.·Apr 15, 2015SaveLearn
Dynamics and thermodynamics of decay in charged clustersWe propose a method for quantifying charge-driven instabilities in clusters, based on equilibrium simulations under confinement at constant external pressure. This approach makes no assumptions about…Mark A. Miller, David A. Bonhommeau, Christian P. Moerland et al.·Apr 1, 2015SaveLearn
Coulomb cluster explosion boosted by a quasi-dc pulse -- diagnostic tool and ultimate test of laser fusion efficiency in clustersTo greatly enhance output of nuclear fusion produced neutrons in a laser-initiated Coulomb explosion of Deuterium clusters, we propose to accelerate the resulting ions by a quasi-dc electrical…A. E. Kaplan·Mar 22, 2015SaveLearn
Proton transfer in histidine-tryptophan heterodimers embedded in helium dropletsWe used cold helium droplets as nano-scale reactors to form and ionize, by electron bombardment and charge transfer, aromatic amino acid heterodimers of histidine with tryptophan, methyl-tryptophan,…Bruno Bellina, Daniel J. Merthe, Vitaly V. Kresin·Mar 18, 2015SaveLearn
Electronic transitions of jet-cooled SiC2, Si2Cn (n=1-3), Si3Cn (n=1,2), and SiC6H4 between 250 and 710 nmElectronic transitions of the title molecules were measured between 250 and 710 nm using a mass-resolved 1+1' resonant two-photon ionization technique at a resolution of 0.1 nm. Calculations at…Mathias Steglich, John P. Maier·Mar 17, 2015SaveLearn
Size distribution of islands according to 2D growth model with 2 kinds of diffusion atomsWe simulated the growth of 2D islands with 2 kinds of diffusion atoms using the kinetic Monte- Carlo (kMC) method. As a result, we found that the slow atoms tend to create nuclei and determine the…R. Yamauchi, X. M. Lu, M. Koyama et al.·Mar 15, 2015SaveLearn
Comparative analysis of the secondary electron yield from carbon nanoparticles and pure water mediumThe production of secondary electrons generated by carbon nanoparticles and pure water medium irradiated by fast protons is studied by means of model approaches and Monte Carlo simulations. It is…Alexey Verkhovtsev, Sally McKinnon, Pablo de Vera et al.·Mar 10, 2015SaveLearn
Fusion mechanism in fullerene-fullerene collisions -- The deciding role of giant oblate-prolate motionWe provide answers to long-lasting questions in the puzzling behavior of fullerene-fullerene fusion: Why are the fusion barriers so exceptionally high and the fusion cross sections so extremely…Jan Handt, Ruediger Schmidt·Mar 9, 2015SaveLearn
Exact theory and numeric results for short pulse ionization of simple model atom in one dimensionOur exact theory for continuous harmonic perturbation of a one dimensional model atom by parametric variations of its potential is generalized for the cases when a) the atom is exposed to short…Alexander Rokhlenko·Mar 5, 2015SaveLearn
Coherent spin mixing dynamics in thermal 87Rb spin-1 and spin-2 gasesWe study the non-equilibrium coherent spin mixing dynamics in ferromagnetic spin-1 and antiferromagnetic spin-2 thermal gases of ultracold 87Rb atoms. Long lasting spin population oscillations…Xiaodong He, Bing Zhu, Xiaoke Li et al.·Mar 4, 2015SaveLearn