Related papers: Electron correlation energy in confined two-electr…

In this study, we investigated the energy partition of four confined circular-ribbon flares (CRFs) near the solar disk center, which are observed simultaneously by SDO, GOES, and RHESSI. We calculated different energy components, including…

Using a variational method we study a sequence of the one-electron atomic and molecular-type systems H, H_2^+, H_3^(2+) and H_4^(3+) in the presence of a homogeneous magnetic field ranging B = 0 - 4.414x10^{13} G. These systems are taken as…

Electronic correlations in the ground state of an idealized infinite-layer high-Tc compound are computed using the ab-initio method of local ansatz. Comparisons are made with the local-density approximation (LDA) results, and the…

The paper reports on a study of electron-phonon interaction within a limited nanosized region. We invoked the modified Fr\"{o}hlich's Hamiltonian to calculate the electron self-energy, as well as the elastic and inelastic scattering cross…

The hydrogen negative ion H$^-$ is the simplest two-electron system that exists in nature. This system is not only important in astrophysics but it also serves as an ideal ground to study electron-electron correlations. The peculiar balance…

In a recent study by Kornath et al. [J. Chem. Phys. 118 (2003) 6957], the Li_n clusters with n=2, 4 and 8 have been isolated in argon matrices at 15 K and characterized by Raman spectroscopy. This has prompted us to carry out a theoretical…

We present a method to approximate post-Hartree-Fock correlation energies by using approximate natural orbitals obtained by the random phase approximation (RPA). We demonstrate the method by applying it to the helium atom, the hydrogen and…

Using a Hartree-Fock mesh method and a configuration interaction approach based on a generalized Gaussian basis set we investigate the behaviour of the exchange and correlation energies of small atoms and molecules, namely th e helium and…

The exchange-correlation energy in Kohn-Sham density functional theory can be expressed exactly in terms of the change in the expectation of the electron-electron repulsion operator when, in the many-electron hamiltonian, this same operator…

By deriving the 3/2 dimensional Hamiltonian equations for electrons in the intense laser radiation and quasi-static transverse electric and longitudinal magnetic fields, the electron heating mechanisms are examined both for low harmonic…

We have calculated the transition energies and probabilities of one-electron one photon and one-electron two photon transitions of middle-Z and high-Z He-like ions using the fully relativistic multiconfiguration Dirac-Hartree-Fock method…

Self-interactions (SIs) are a major problem in density functional approximations and the source of serious divergence from experimental results. Here, we propose to optimize density functional total energies in terms of the effective local…

Dynamical response theory is used to investigate various transverse confinements on electron correlations in the ground state of a ferromagnetic one-dimensional quantum wire for different wire widths $b$ and density parameters $r_{\rm s}$.…

We consider electronic exchange and correlation effects in density-functional calculations of two-dimensional systems. Starting from wave function calculations of total energies and electron densities of inhomogeneous model systems, we…

We present detailed results of Unrestricted Hartree-Fock (UHF) calculations for up to eight electrons in a parabolic quantum dot. The UHF energies are shown to provide rather accurate estimates of the ground-state energy in the entire range…

We study the system consisted of two electrons in a quantum dot with a three-dimensional harmonic confinement potential under the effect of a magnetic field. Specifically, two different confinement conditions are considered, one isotropic…

We present and discuss some ideas concerning an ``average-pair-density functional theory'', in which the ground-state energy of a many-electron system is rewritten as a functional of the spherically and system-averaged pair density. These…

A model physical problem is studied in which a system of two electrons is subject either to soft confinement by means of attractive oscillator potentials or by entrapment within an impenetrable spherical box of finite radius $R.$ When hard…

Physically valid and numerically efficient approximations for the exchange and correlation energy are critical for reduced density-matrix functional theory to become a widely used method in electronic structure calculations. Here we examine…

We investigate different correlation mechanisms for two-electron systems and compare their respective effects on various electron distributions. The simplicity of the wave functions used allows for the derivation of closed-form analytical…