Related papers: Nucleus-electron correlation revising molecular bo…
We developed a novel approach based on a generalization of factorization and nuclear spectral functions, allowing for a consistent treatment of the amplitudes involving one- and two-nucleon currents, whose contribution to the nuclear…
Local(multiplicative) effective potential energy theories of electronic structure comprise the transformation of the Schr{\"o}dinger equation for interacting fermi systems to model noninteracting fermi or bose systems whereby the equivalent…
We describe the computer codes, developed at Vilnius University, for the calculation of electron-impact excitation cross sections, collision strengths, and excitation rates in the plane-wave Born approximation. These codes utilize the…
A method for constructing semianalytical strongly correlated wave functions for single and molecular quantum dots is presented. It employs a two-step approach of symmetry breaking at the Hartree-Fock level and of subsequent restoration of…
We study nuclear symmetry energy and the thermodynamic instabilities of asymmetric nuclear matter in a self-consistent manner by using a modified quark-meson coupling model where the confining interaction for quarks inside a nucleon is…
Some of the most spectacular failures of density-functional and Hartree-Fock theories are related to an incorrect description of the so-called static electron correlation. Motivated by recent progress on the N-representability problem of…
Electron microscopy is a powerful tool for studying the properties of materials down to their atomic structure. In many cases, the quantitative interpretation of images requires simulations based on atomistic structure models. These…
An effective nucleon-nucleon interaction calculated in nuclear matter from the Bonn potential has been parametrized in terms of a local density- and energy-dependent two-body interaction. This allows to calculate the real part of the…
A linearly coupled chain of spin-polarized quantum dots is investigated under the condition that the number of electrons is equal to or less than the number of the dots. The chemical potential of the system, $\mu_{N}=E(N)-E(N-1)$,…
Two different approximation schemes for the self-consistent solution of the relativistic Brueckner-Hartree-Fock equation for finite nuclei are discussed using realistic One-Boson-Exchange potentials. In a first scheme, the effects of…
We present a model which describes the properties of odd-even nuclei with one nucleon more, or less, with respect to the magic number. In addition to the effects related to the unpaired nucleon, we consider those produced by the excitation…
Ab initio electronic structure methods give accurate results for small systems, but do not scale well to large systems. Chemical insight tells us that molecular functional groups will behave approximately the same way in all molecules,…
We investigate quantum dynamics in the electron-nuclei coupled spin system in quantum dots and clarify the fundamental features of quantum correlation induced via successive electron spin measurements. This quantum correlation leads to…
Based on the Thomas-Fermi solution for compressed electron gas around a giant nucleus, $Z\approx 10^6$, we study electric pulsations of electron number-density, pressure and electric fields, which could be caused by an external…
We study the correlation energy, the effective anisotropy parameter, and quantum fluctuations of the pseudospin magnetization in bilayer quantum Hall systems at total filling factor nu=1 by means of exact diagonalizations of the Hamiltonian…
We present an efficient method of inclusion of the core-valence correlations into the configuration interaction (CI) calculations. These correlations take place in the core area where the potential of external electrons is approximately…
We test a set of multiconfigurational wavefunction approaches for calculating the ground state electron population for a two-site Anderson model representing a molecule on a metal surface. In particular, we compare (i) a Hartree Fock like…
Direct analytical and numerical calculation show that two-electron atomic configuration can be unstable with respect to a static or dynamic shift of the electron shells. This enables to develop a so called non-rigid shell model for a…
A new linked cluster expansion for the calculation of ground state observables of complex nuclei with realistic interactions has been developed [1-3]; using the V8' potential [4] the ground state energy, density and momentum distribution of…
An implementation of the Hartree-Fock (HF) method capable of robust convergence for well-behaved arbitrary central potentials is presented. The Hartree-Fock equations are converted to a generalized eigenvalue problem by employing a B-spline…