The valence and spectral properties of rare-earth clustersThe rare-earths are known to have intriguing changes of the valence, depending on chemical surrounding or geometry. Here we make predictions from theory that combines density functional theory with…L. Peters, I. Di Marco, M. S. Litsarev et al.·May 31, 2016SaveLearn
Femtosecond dynamics of correlated many-body states in C60 fullerenesFullerene complexes may play a key role in the design of future molecular electronics and nanostructured devices with potential applications in light harvesting using organic solar cells. Charge and…Sergey Usenko, Michael Schüler, Armin Azima et al.·May 25, 2016SaveLearn
Series of broad resonances in atomic three-body systemsWe re-examine the series of resonances found earlier in atomic three-body systems by solving the Faddeev-Merkuriev integral equations. These resonances are rather broad and line-up at each threshold…D. Diaz, Z. Papp, C. -Y. Hu·May 24, 2016SaveLearn
The interaction of He- with fullerenesThe effects of interactions between He- and clusters of fullerenes in helium nanodroplets are described. Electron transfer from He- to (C60)n and (C70)n clusters results in the…A. Mauracher, M. Daxner, S. E. Huber et al.·May 2, 2016SaveLearn
On the hyperfine structures of the ground state(s) in the 6Li and 7Li atomsHyperfine structure of the ground 22S-states of the three-electron atoms and ions is investigated. By using our recent numerical values for the doublet electron density at the atomic nucleus we…Alexei M. Frolov·Apr 28, 2016SaveLearn
Competition between Alkalide Characteristics and Nonlinear Optical Properties in OLi3-M-Li3O (M=Li, Na and K) ComplexesAlkalides possess enhanced nonlinear optical (NLO) responses due to localization of excess electrons on alkali metals. We have proposed a new class of alkalides by sandwiching alkali atoms (M)…Ambrish Kumar Srivastava, Neeraj Misra·Apr 24, 2016SaveLearn
Modeling of nanoparticle coatings for medical applicationsGold nanoparticles (AuNPs) have been shown to possess properties beneficial for the treatment of cancerous tumors by acting as radiosensitizers for both photon and ion radiation. Blood circulation…Kaspar Haume, Nigel J. Mason, Andrey Solov'yov·Apr 22, 2016SaveLearn
Photoionization of multishell fullerenes studied by ab initio and model approachesPhotoionization of two buckyonions, C60@C240 and C20@C60, is investigated by means of time-dependent density-functional theory (TDDFT). The TDDFT-based photoabsorption spectrum of…Alexey Verkhovtsev, Andrei V. Korol, Andrey V. Solov'yov·Apr 21, 2016SaveLearn
Accurate computations of bound state properties in three- and four-electron atomic systems in the basis of multi-dimensional gaussoidsResults of accurate computations of bound states in three- and four-electron atomic systems are discussed. Bound state properties of the four-electron lithium ion Li- in its ground…Alexei M. Frolov, David M. Wardlaw·Apr 21, 2016SaveLearn
Analysis of the carbonyl group stretching vibrations in some structural fragments of poly-3-hydroxybutyrateThe structure and the medium effects exerted on the spectral characteristics of the carbonyl group stretching vibrations in some structural fragments of poly-3-hydroxybutyrate have been analyzed.…George A. Pitsevich, Ekaterina Kozlovskaya, Iryna Doroshenko·Apr 4, 2016SaveLearn
Efficiency of Dopant-Induced Ignition of Helium NanoplasmasHelium nanodroplets irradiated by intense near-infrared laser pulses ignite and form highly ionized nanoplasmas even at laser intensities where helium is not directly ionized by the optical field,…A. Heidenreich, B. Gruener, M. Rometsch et al.·Mar 29, 2016SaveLearn
Strong-field ionization of clusters using two-cycle pulses at 1.8~μmThe interaction of intense laser pulses with nano-scale particles leads to the production of high-energy electrons, ions, neutral atoms, neutrons and photons. Up to now, investigations have focused…Bernd Schütte, Peng Ye, Serguei Patchkovskii et al.·Mar 17, 2016SaveLearn
Molecular vibrational trapping revisited: a case study with D2+This article presents a detailed study of the photodissociation probability of D2+ for a wide range of photon energy. One dimensional numerical calculations have been performed to provide the…P. Badankó, G. J. Halász, Á. Vibók·Mar 9, 2016SaveLearn
Spectroscopic investigation of phase transitions in 1-nonanol and 1-decanolFTIR spectra of monohydric alcohols 1-nonanol (C9H19OH) and 1-decanol (C10H21OH) were registered in the spectral region from 500 cm-1 to 4000 cm-1 at temperatures from -50 to + 25 °C for 1-nonanol…Yelyzaveta Chernolevska, Yevhenii Vaskivskyi, Valeriy Pogorelov et al.·Mar 2, 2016SaveLearn
Effective Transparency in the XUV: A Pump-Probe Test of Atomistic Laser-Cluster ModelsThe effective transparency of rare-gas clusters, post-interaction with an extreme ultraviolet (XUV) pump pulse, is predicted by using an atomistic hybrid quantum-classical molecular dynamics model.…Rishi Pandit, Kasey Barrington, Thomas Teague et al.·Mar 1, 2016SaveLearn
Examination of the Feynman-Hibbs Approach in the Study of NeN-Coronene Clusters at Low TemperaturesFeynman-Hibbs (FH) effective potentials constitute an appealing approach for investigations of many-body systems at thermal equilibrium since they allow us to easily include quantum corrections…R. Rodríguez-Cantano, R. Pérez de Tudela, M. Bartolomei et al.·Feb 25, 2016SaveLearn
Study of adiabatic connection in density functional theory with an accurate wavefunction for 2-electron atomsUsing an accurate semi-analytic wavefunction for two electron atoms, we construct the external potential for varying strength of electron-electron (e-e) interaction. Using this potential we…Rabeet Singh Chauhan, Manoj K. Harbola·Feb 17, 2016SaveLearn
Single-Ion Atomic Clock with 3×10-18 Systematic UncertaintyWe experimentally investigate an optical frequency standard based on the 2S1/2 (F=0) 2F7/2 (F=3) electric octupole (E3) transition of a single trapped 171Yb+ ion. For…N. Huntemann, C. Sanner, B. Lipphardt et al.·Feb 11, 2016SaveLearn
Capture into resonance and phase space dynamics in optical centrifugeThe process of capture of a molecular enesemble into rotational resonance in the optical centrifuge is investigated. The adiabaticity and phase space incompressibility are used to find the resonant…Tsafrir Armon, Lazar Friedland·Feb 8, 2016SaveLearn
Tracking the photodissociation probability of D2+ induced by linearly chirped laser pulsesIn the presence of linearly varying frequency chirped laser pulses the photodissociation dynamics of D2+ is studied theoretically after ionization of D2 . As a completion of our recent work…András Csehi, Gábor J. Halász, Lorenz S. Cederbaum et al.·Feb 3, 2016SaveLearn
Analysis of luminescence spectra of substrate-free icosahedral and crystalline clusters of argonWe propose a new approach to analysis of cathodoluminescence spectra of substrate-free nanoclusters of argon produced in a supersonic jet expanding into a vacuum. It is employed to analyze…Yu. S. Doronin, V. L. Vakula, G. V. Kamarchuk et al.·Jan 27, 2016SaveLearn
Towards the full quantum dynamical description of photon induced processes in D2+A new quantum dynamical model has been developed to describe the dissociative ionization of deuterium molecular ions by intense laser pulses (τ=10 fs, λ=200 nm and I=3×1013 W/cm2).…Attila Tóth, Sándor Borbély, Zsolt G. Kiss et al.·Jan 20, 2016SaveLearn
Strong-field effects in the photo-emission spectrum of the C60 fullereneConsidering C60 as a model system for describing field emission from the extremity of a carbon nanotip, we explore electron emission from this fullerene excited by an intense, near-infrared,…Cong-Zhang Gao, Phuong Mai Dinh, Peter Kluepfel et al.·Jan 14, 2016SaveLearn
Strong Orbital Interaction in pi-pi Stacking SystemA simple prototypical model of aromatic pi-pi stacking system -- benzene sandwich dimer is investigated by ab initio calculations based on second-order Moller-Plesset perturbation theory (MP2) and…Xiao-Xiao Fu, Jian-Fu Li, Rui-Qin Zhang·Jan 6, 2016SaveLearn
First prediction of inter-Coulombic decay of C60 inner vacancies through the continuum of confined atomsConsidering the photoionization of Ar@C60 and Kr@C60 endofullerenes, the decay of C60 innershell excitations through the outershell continuum of the confined atom via the inter-Coulombic decay (ICD)…Ruma De, Maia Magrakvelidze, Mohamed E Madjet et al.·Dec 22, 2015SaveLearn