Atomic and Molecular Clusters
Our measurements of the differential susceptibility dM/dH of the frustrated magnetic molecules Mo72Fe30 and Mo72Cr30 reveal a pronounced dependence on magnetic field (H) and temperature (T) in the low H - low T regime, contrary to the…
In this paper we employ all-electron time dependent density functional theory (TDDFT) to calculate the long range dipole-dipole dispersion coefficient (van der Waals coefficient) $C_{6}$ of alkali-metal atoms Li, Na, K, alkali-metal atom…
We demonstrate the prominent modification of the outer shell photoionization cross-section in noble gas (NG) endohedral atoms NG@F under the action of the fullerene F electron shell. This shell leads to two important effects, namely to…
Ground state energies and chemical potentials of parahydrogen clusters are calculated from 3 to 40 molecules using the diffusion Monte Carlo technique with two different pH2-pH2 interactions. This calculation improves a previous one by the…
In the present paper, we develop a semiclassical quasi-static model accounting for molecular double ionization in an intense laser pulse. With this model, we achieve insight into the dynamics of two highly-correlated valence electrons under…
In this paper we employ all-electron \textit{ab-initio} time-dependent density functional theory based method to calculate the long range dipole-dipole dispersion coefficient (van der Waals coefficient) $C_{6}$ of sodium atom clusters…
Using first-principles density functional calculations, we have studied the magnetic ordering in pure Mn$_n$ ($n=2-$10, 13, 15, 19) and As@Mn$_n$ ($n=1-$10) clusters. Although, for both pure and doped manganese clusters, there exists many…
Recent reports on intense-field pump-probe experiments for high harmonic generation from coherently rotating linear molecules, have revealed remarkable characteristic effects of the simultaneous variation of the polarization geometry and…
We consider Feshbach scattering of fermions in a one-dimensional optical lattice. By formulating the scattering theory in the crystal momentum basis, one can exploit the lattice symmetry and factorize the scattering problem in terms of…
Density-functional theory has been applied to investigate systematics of sodium clusters Na_n in the size range of n= 39-55. A clear evolutionary trend in the growth of their ground-state geometries emerges. The clusters at the beginning of…
A new single-particle shell model is derived by solving the Schr\"odinger equation for a semi-spheroidal potential well. Only the negative parity states of the $Z(z)$ component of the wave function are allowed, so that new magic numbers are…
The ground-state electronic, structural, and magnetic properties of small silver clusters, Ag$_n$ (2$\le$n$\le$22), have been studied using a linear combination of atomic Gaussian-type orbitals within the density functional theory. The…
The dynamics of vibrational wave packets excited in K$_2$ dimers attached to superfluid helium nanodroplets is investigated by means of femtosecond pump-probe spectroscopy. The employed resonant three-photon-ionization scheme is studied in…
The fully retarded dispersion interaction between an atom and a cluster or between two clusters is calculated. Results obtained with two different methods are compared. One is to consider a cluster as a collection of many atoms and evaluate…
We perform density functional theory calculations using Gaussian atomic-orbital methods within the generalized gradient approximation for the exchange and correlation to study the interactions in the bare and hydrogenated platinum clusters.…
Rare gas or metal clusters are known to absorb laser energy very efficiently. Upon cluster expansion the Mie plasma frequency may become equal to the laser frequency. This linear resonance has been well studied both experimentally and…
Using lattice effective field theory, we study the ground state binding energy of N distinct particles in two dimensions with equal mass interacting weakly via an attractive SU(N)-symmetric short range potential. We find that in the limit…
We carry out a microscopic analysis of the ground and excited states of the Na_8 metal cluster within the jellium model. We perform a series of configuration interaction calculations on a Hartree-Fock basis and construct eigenstates of the…
The ground-state electronic and structural properties, and the electronic excitations of the lowest energy isomers of the Ag$_8$ cluster are calculated using density functional theory (DFT) and time-dependent DFT (TDDFT) in real time and…
In this work, we have used the exchange-only optimized effective potential in the self-consistent calculations of the density functional Kohn-Sham equations for simple metal clusters in stabilized jellium model with self-compression. The…