Coulomb cluster explosion boosted by an electrical pulse -- neutron source, diagnostic tool, and test of nuclear fusion efficiencyTo greatly enhance output of fusion-produced neutrons in a laser-initiated Coulomb explosion of D clusters, we propose to accelerate D+ ions by an electrical pulse to the energies where the $D+…A. E. Kaplan·Dec 21, 2018SaveLearn
Analysing the anisotropy in morphological evolution and readjustment effects in cluster-cluster aggregation of AuNPs using Shannon entropyWe have used information theory analogue of entropy, Shannon entropy, for estimating the variations during the isotropic and anisotropic AuNP fractal growth process. We have firstly applied the…Anurag Singh, Anushree Roy, Amar Nath Gupta·Dec 20, 2018SaveLearn
Inelastic scattering of photoelectrons from He nanodropletsWe present a detailed study of inelastic energy-loss collisions of photoelectrons emitted from He nanodroplets by tunable extreme ultraviolet (XUV) radiation. Using coincidence imaging detection of…M. V. Shcherbinin, F. Vad Westergaard, M. Hanif et al.·Dec 19, 2018SaveLearn
Highly efficient double ionization of mixed alkali dimers by intermolecular Coulombic decayAs opposed to purely molecular systems where electron dynamics proceed only through intramolecular processes, weakly bound complexes such as He droplets offer an environment where local excitations…A. C. LaForge, M. Shcherbinin, F. Stienkemeier et al.·Dec 18, 2018SaveLearn
Spatial separation of pyrrole and pyrrole-water clustersWe demonstrate the spatial separation of pyrrole and pyrrole(H2O) clusters from the other atomic and molecular species in a supersonically-expanded beam of pyrrole and traces of water seeded in…Melby Johny, Jolijn Onvlee, Thomas Kierspel et al.·Dec 14, 2018SaveLearn
The N2O-CS2 dimer is cross-shapedThe infrared spectrum of the cross-shaped van der Waals complex N2O-CS2 is observed in the region of the N2O nu1 fundamental band (~2220 cm-1) using a tuneable diode laser to probe a pulsed…N. Moazzen-Ahmadi, A. R. W. McKellar·Dec 14, 2018SaveLearn
Photoionization of Endohedrals with account of fullerenes polarizationWe have calculated photoionization cross-section of endohedral atoms A@CN. We took into account the polarizability of the fullerene electron shell CN that modifies the incoming photon beam and the…M. Ya. Amusia, L. V. Chernysheva·Dec 12, 2018SaveLearn
Magnetic Exchange in Spin ClustersWe investigate the role of exchange bridges in molecular magnets. We explore their effects on the distribution of the valence electrons and their contribution to the exchange processes. The present…M. Georgiev, H. Chamati·Nov 30, 2018SaveLearn
Ultrafast Structural Dynamics of Photo-Reactions Revealed by Model-Independent X-ray Cross-Correlation AnalysisWe applied angular X-ray Cross-Correlation analysis (XCCA) to scattering images from a femtosecond resolution LCLS X-ray free-electron laser (XFEL) pump-probe experiment with solvated PtPOP…Peter Vester, Ivan A. Zaluzhnyy, Ruslan P. Kurta et al.·Nov 19, 2018SaveLearn
The generation of ground state structures and electronic properties of ternary AlkTilNim clusters (k+l+m=4) from a two-stage DFT global searching approachStructural and electronic properties of ternary clusters AlkTilNim, where k, l, and m are integers and k + l + m = 4 are investigated. These clusters are generated and studied by performing a…Pin Wai Koh, Tiem Leong Yoon, Thong Leng Lim et al.·Oct 31, 2018SaveLearn
Thermo-Density Coupling in PFC Type Models for the Study of Rapid CrystallizationWe self-consistently derive a formalism that couples a Phase Field Crystal (PFC) density field to thermal transport. It yields a theory for non-uniform transient temperature and density evolution,…Gabriel Kocher, Nikolas Provatas·Oct 31, 2018SaveLearn
Relative energetics of acetyl-histidine protomers with and without Zn2+ and a benchmark of energy methodsWe studied acetylhistidine (AcH), bare or microsolvated with a zinc cation by simulations in isolation. First, a global search for minima of the potential energy surface combining both, empirical and…Markus Schneider, Carsten Baldauf·Oct 24, 2018SaveLearn
Breakdown of the spectator concept in low-electron-energy resonant decay processesWe suggest that low energy electrons, released by resonant decay processes, experience substantial scattering on the electron density of excited electrons, which remain a spectator during the decay.…A. Mhamdi, J. Rist, D. Aslitürk et al.·Oct 17, 2018SaveLearn
Ionization of Ammonia Nanoices With Adsorbed Methanol MoleculesLarge ammonia clusters represent a model system of ices which are omnipresent throughout the space. The interaction of ammonia ices with other hydrogen-boding molecules such as methanol or water and…Michal Fárník, Andriy Pysanenko, Kamila Moriová et al.·Oct 12, 2018SaveLearn
Existence of a system of discrete volume-localized quantum levels for charged fullerenesIn the framework of a simple physical model, we demonstrate the existence of a system of discrete short-lifetime quantum levels for electrons in the potential well of the self-consistent field of…Rafael V. Arutyunyan, Petr N. Vabishchevich, Yuri N. Obukhov·Oct 8, 2018SaveLearn
From planes to bowls: photodissociation of the bisanthenequinone cationWe present a combined experimental and theoretical study of the photodissociation of the bisanthenequinone (C28H12O2) cation, Bq+. The experiments show that, upon photolysis, the Bq+ cation does not…Tao Chen, Junfeng Zhen, Ying Wang et al.·Sep 26, 2018SaveLearn
Efimov states of three unequal bosons in non-integer dimensionsThe Efimov effect for three bosons in three dimensions requires two infinitely large s-wave scattering lengths. We assume two identical particles with very large scattering lengths interacting with…E. R. Christensen, A. S. Jensen, E. Garrido·Sep 24, 2018SaveLearn
Time Delay in Electron-C60 Elastic Scattering in a Dirac Bubble Potential ModelWithin the framework of a Dirac bubble potential model for the C60 fullerene shell, we calculated the time delay in slow-electron elastic scattering by C60. It appeared that the time of transmission…M. Ya. Amusia, A. S. Baltenkov·Sep 24, 2018SaveLearn
Infrared spectra of Rg1,2 - C6H6 complexes, Rg = He, Ne, ArInfrared spectra of Rg1,2 - C6H6 complexes (Rg = He, Ne, Ar) are observed in the region of the nu12 fundamental of C6H6 using a pulsed supersonic jet expansion and a tunable optical parametric…K. Esteki, A. J. Barclay, A. R. W. McKellar et al.·Sep 21, 2018SaveLearn
Quantum dynamics of Rb atoms desorbing off the surface of He nanodropletsThe desorption of excited rubidium (Rb) atoms off the surface of helium (He) nanodroplets is studied in detail using femtosecond time-resolved photoion and photoelectron imaging spectroscopy in…N. V. Dozmorov, J. von Vangerow, J. A. M. Fordyce et al.·Sep 13, 2018SaveLearn
From Molecular to Metallic Gold Nanoparticles: The Role of Nanocrystal Symmetry in the Crossover RegionBulk gold is a good metal, i.e., conductor of electricity and heat, due to its delocalized electron density that can respond to extremely small external perturbations such as electric field or…Sami Malola, Sami Kaappa, Hannu Hakkinen·Sep 12, 2018SaveLearn
Conical Intersections Induced by Quantum Light: Field-Dressed Spectra from the Weak to the Ultrastrong Coupling RegimesA fundamental theoretical framework is formulated for the investigation of rovibronic spectra resulting from the coupling of molecules to one mode of the radiation field in an optical cavity. The…Tamás Szidarovszky, Attila. G. Császár, Gábor J. Halász et al.·Aug 14, 2018SaveLearn
The Gregory-Newton Problem for Kissing Sticky SpheresAll possible non-isomorphic arrangements of 12 spheres kissing a central sphere (the Gregory-Newton problem) are obtained for the sticky-hard-sphere (SHS) model, and subsequently projected by…Lukas Trombach, Peter Schwerdtfeger·Aug 9, 2018SaveLearn
Point Group Symmetry Analysis of the Electronic Structure of Bare and Protected Metal NanocrystalsThe electronic structures of a variety of experimentally identified gold and silver nanoclusters from 20 to 246 atoms, either unprotected or protected by several types of ligands, are characterized…Sami Kaappa, Sami Malola, Hannu Häkkinen·Aug 6, 2018SaveLearn
Systematic First Principles Configuration-Interaction Calculations of Linear Optical Absorption Spectra in Silicon Hydrides : Si2H2n (n = 1-3)We have performed first principles electron-correlated calculations employing large basis sets to optimize the geometries, and to compute linear optical absorption spectra of various low-lying…Pritam Bhattacharyya, Deepak Kumar Rai, Alok Shukla·Jul 30, 2018SaveLearn