原子与分子团簇
Femtosecond pump-probe spectroscopy has been used to study vibrational dynamics of potassium dimers attached to superfluid helium nanodroplets. Comparing the measured data with theoretical results based on dissipative quantum dynamics we…
A systematic theoretical study of stoichiometric clusters (NaI)n up to n=15 is performed using the ab initio Perturbed-Ion (PI) model. The structures obtained are compared to previous pair potential results, and observed differences between…
Metal atoms in solid and liquid helium-4 have attracted some interest either as a way to keep the atoms in a weakly perturbing matrix, or using them as a probe for the helium host medium. Laser sputtering with nanosecond pulsed lasers is…
Surprising enhancement of the magnetic moments recently observed in dilute Co-Mn alloy clusters is explained using ab initio electronic structure calculations. The calculated magnetic moments generally agree with the reported experimental…
Structures, physical and chemical properties of V doped Co$_{13}$ clusters have been studied in detail using density functional theory based first-principles method. We have found anomalous variation in stability of the doped clusters with…
A numerical analysis of the origin of the atomic-scale contrast in Kelvin probe force microscopy (KPFM) is presented. Atomistic simulations of the tip-sample interaction force field have been combined with a non-contact Atomic Force…
The SAXS (small angle X-ray scattering) technique has been used to determine the fundamental structure of conducting thin films fabricated by implanting gold ions into PMMA (polymethylmethacrylate) polymer. We present a brief review of the…
Photoassociation of ultracold atoms induced by chirped picosecond pulses is analyzed in a non-perturbative treatment by following the wavepackets dynamics on the ground and excited surfaces. The initial state is described by a Boltzmann…
Angular resolved photoelectron spectra of metal clusters have been experimentally measured for the first time only recently. These measurements have been performed systematically for sodium clusters in a broad range of cluster sizes. This…
A general scenario for electronic charge migration in finite samples illuminated by an intense laser pulse is given. Microscopic calculations for neon clusters under strong short pulses as produced by X-ray free-electron laser sources…
It is well known that plasmons in bulk metals cannot be excited by direct photoabsorption, that is, by coupling of volume plasmons to light. Here we demonstrate that the situation in nanoclusters of the same metals is entirely different. We…
Applying time-dependent local density approximation (TDLDA), we study the high-order harmonic generation (HHG) of ethylene subjected to the one-color ($\omega=2.72$ eV) and the two-color ($\omega_1=2.72$ eV and $\omega_2=5.44$ eV)…
Using time-dependent density functional theory, applied to valence electrons, coupled non-adiabatically to molecular dynamics of the ions, we study the induced dynamics of ethylene subjected to the laser field. We demonstrate the reliable…
The influences of water molecules surrounding biological molecules during irradiation with heavy particles (atoms,ions) are currently a major subject in radiation science on a molecular level. In order to elucidate the underlying complex…
Doping a helium nanodroplet with a tiny xenon cluster of a few atoms only, sparks complete ionization of the droplet at laser intensities below the ionization threshold of helium atoms. As a result, the intrinsically inert and transparent…
The electrical conductivity of disordered insulator-conductor composites have been studied for more than thirty years. In spite of this some properties of dc bulk conductivity of composites still remain incompletely understood. We present a…
Dressed states of spinor Bose-Einstein condensates of spin-1 atoms located in optical cavity of near resonance frequency of excited state of the atom are investigated. The wave function of dark states are given.
Dressed states of spinor Bose-Einstein condensates of spin-1 atoms coupling with optical cavity modes with far off resonance frequency are investigated. The exact solution of time evolution of population of spin component is derived, and…
Distance geometry is the study of the arrangements of points in space using only the mutual distances between them. The basic idea in this letter is to use distance geometry for thermodynamics studies of small clusters in the microcanonical…
The structural, electronic, and magnetic properties of Gd@C_82 endohedral metallofullerene have been studied by employing on-site correlation corrected, scalar-relativistic and full-relativistic density functional theory within the local…