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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…

原子物理 · 物理学 2009-10-31 P. Schmelcher , M. V. Ivanov , W. Becken

We calculate the ground state energies of a system of two dipolar fermions trapped in a harmonic oscillator potential. The dipoles are assumed to be aligned parallel to each other. We perform the calculations of ground state energy as a…

原子与分子团簇 · 物理学 2014-10-09 Amit K. Das , Arup Banerjee

We consider N fermions in a two-dimensional harmonic oscillator potential interacting with a very short-range repulsive pair-wise potential. The ground-state energy of this system is obtained by performing a Thomas-Fermi as well as a…

凝聚态物理 · 物理学 2007-05-23 M. K. Srivastava , R. K. Bhaduri , J. Law , M. V. N. Murthy

The electron correlations in narrow energy bands are examined in framework of the Hubbard model. The single-particle Green function and energy spectrum are obtained in paramagnetic state at half-filling by means of new two-pole…

强关联电子 · 物理学 2011-12-30 Leonid Didukh , Yuriy Skorenkyy

Employing a local formula for the electron-electron interaction energy, we derive a self-consistent approximation for the total energy of a general $N$-electron system. Our scheme works as a local variant of the Thomas-Fermi approximation…

化学物理 · 物理学 2013-10-31 E. Rasanen , A. Odriazola , I. Makkonen , A. Harju

Motivated by the considerable importance of material properties in modern condensed matter physics research, and using techniques of the $N_{e}$ -electron systems in terms of the electron density $n_{\sigma e}\left( r\right) $ needed to…

材料科学 · 物理学 2024-07-19 A. Belhaj , S. E. Ennadifi

We determine numerically the ground state of the two-dimensional, fully polarized electron gas within the Hartree-Fock approximation without imposing any particular symmetries on the solutions. At low electronic densities, the Wigner…

强关联电子 · 物理学 2014-03-04 B. Bernu , F. Delyon , M. Duneau , M. Holzmann

Various auxiliary-particle approaches to treat electron correlations in many-electron models are analyzed. Applications to copper-oxide layered systems are discussed. The ground-state magnetic phase diagrams are considered within the…

强关联电子 · 物理学 2019-02-21 V. Yu. Irkhin , P. A. Igoshev

Radial, angular and total correlation energies are calculated for four two-electron systems with atomic numbers Z=0-3 confined within an impenetrable sphere of radius R. We report accurate results for the non-relativistic, restricted…

原子物理 · 物理学 2015-05-19 C. L. Wilson , H. E. Montgomery , K. D. Sen , D. C. Thompson

For interacting electrons in solids, Heisenberg's equation is used to calculate the distribution in energy of transitions induced by adding an electron to an atomic-like spin orbital. This is the projected density of transitions which…

强关联电子 · 物理学 2017-02-15 Roger Haydock

The effective potential of electron--electron interaction and the two-particle \textquotedblleft density--density\textquotedblright\ correlation function have been calculated for a simple semiinfinite metal making allowance for the…

介观与纳米尺度物理 · 物理学 2015-03-29 B. M. Markovych , I. M. Zadvorniak

The correlation between electrons in different quantum wires is expected to affect the electronic properties of quantum electron-electron biwire systems. Here, we use the variational Monte Carlo method to study the ground-state properties…

量子气体 · 物理学 2021-08-04 Rajesh O. Sharma , N. D. Drummond , Vinod Ashokan , K. N. Pathak , Klaus Morawetz

We compute the energy spectrum of the ground state of a 2D Dirac electron in the presence of a Coulomb potential and a constant magnetic field perpendicular to the plane where the the electron is confined. With the help of a mixed-basis…

介观与纳米尺度物理 · 物理学 2009-11-10 Victor M. Villalba , Ramiro Pino

We study the ground-state correlation energy $E_{\rm c}$ of two electrons of opposite spin confined within a $D$-dimensional ball ($D \ge 2$) of radius $R$. In the high-density regime, we report accurate results for the exact and restricted…

其他凝聚态物理 · 物理学 2010-08-17 Pierre-François Loos , Peter M. W. Gill

It is observed that the exact interacting ground-state electronic energy of interest may be obtained directly, in principle, as a simple sum of orbital energies when a universal density-dependent term is added to $w\left(\left[ \rho…

化学物理 · 物理学 2016-02-11 Mel Levy , Federico Zahariev

Using both the second order correction of perturbation theory and the exact computation due to Dalgarno-Lewis, we compute the second order noncommutative Stark effect,i.e., shifts in the ground state energy of the hydrogen atom in the…

高能物理 - 理论 · 物理学 2009-11-10 Noureddine Chair , Mohammad A. Dalabeeh

In the present work ferromagnetic ordering in the Hubbard model generalized by taking into account the inter-atomic exchange interaction and correlated hopping in partially filled narrow band is considered. In the case of weak…

强关联电子 · 物理学 2007-05-23 L. Didukh , O. Kramar , Yu. Skorenkyy

We calculate the ground state phase diagram of the homogeneous electron gas in three dimensions within the Hartree-Fock approximation and show that broken symmetry states are energetically favored at any density against the homogeneous…

强关联电子 · 物理学 2014-03-04 Lucas Baguet , François Delyon , Bernard Bernu , Markus Holzmann

A Hartree--Fock analysis of the ground-state electronic structure of the finite spherical jellium model is carried out for systems containing up to $520$ electrons in a positive background field with densities ranging from $10^{-3}$ to $1$.…

材料科学 · 物理学 2025-12-09 Michael Píro , Jaroslav Hamrle

The variational and diffusion quantum Monte Carlo methods are used to calculate the correlation energy of the paramagnetic three-dimensional homogeneous electron gas at intermediate to high density. Ground state energies in finite cells are…

强关联电子 · 物理学 2023-03-29 Sam Azadi , N. D. Drummond , S. M. Vinko
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