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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…

Chemical Physics · Physics 2022-07-19 Junhan Chen , Wenjie Dou , Joseph Subotnik

Model Hamiltonians with long-range interaction yield energies that are corrected taking into account the universal behavior of the electron-electron interaction at short range. Although the intention of the paper is to explore the…

Chemical Physics · Physics 2020-10-28 Andreas Savin

Analytical expressions are derived for classical trajectories in repulsive Coulomb plus multi-step attractive potentials. Thereafter the closed form expressions are obtained for classical deflection functions. The expressions are expected…

Nuclear Theory · Physics 2007-05-23 S. K. Gupta , Arun K. Jain , B. M. Jyrwa

An explicitly orbital-dependent correlation energy functional is proposed, which is to be used in combination with the orbital-dependent exchange energy functional in energy-band calculations. It bears a close resemblance to the…

Strongly Correlated Electrons · Physics 2009-11-10 Masahiko Higuchi , Hiroshi Yasuhara

The Dirac equation for an electron in two spatial dimensions in the Coulomb and homogeneous magnetic fields is discussed. For weak magnetic fields, the approximate energy values are obtained by semiclassical method. In the case with strong…

Quantum Physics · Physics 2009-11-06 Choon-Lin Ho , V. R. Khalilov

We study a system of electrons on a one-dimensional lattice, interacting through the long range Coulomb forces, by means of a variational technique which is the strong coupling analog of the Gutzwiller approach. The problem is thus the…

Strongly Correlated Electrons · Physics 2007-05-23 S. Fratini , B. Valenzuela , D. Baeriswyl

The nuclei $^4$He, $^8$Be, $^{12}$C and $^{16}$O have been studied starting from nucleon-nucleon interactions of $v_4$ type. The wave function is built as the product of three terms, a Jastrow correlation factor, a linear correlation factor…

Nuclear Theory · Physics 2007-05-23 E Buendia , F J Galvez , J Praena , A Sarsa

We present a general approach for the construction of the exact local-energy-density functionals for a uniform N-dimensional electronic system in a magnetic field. For arbitrary dimension, we obtain explicit expressions for the matter,…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 B. P. van Zyl

We derive a local approximation for the correlation energy in two-dimensional electronic systems. In the derivation we follow the scheme originally developed by Colle and Salvetti for three dimensions, and consider a Gaussian approximation…

Strongly Correlated Electrons · Physics 2008-11-21 S. Pittalis , E. Rasanen , M. Marques

The effects of a long range electronic potential on a one dimensional chain of spinless fermions are investigated by numerical techniques (Exact Diagonalisation of rings with up to 30 sites complemented by finite size analysis) and analytic…

Strongly Correlated Electrons · Physics 2009-10-31 Sylvain Capponi , Didier Poilblanc , Thierry Giamarchi

The persistent current in three-dimensional mesoscopic rings is investigated numerically. The model is tight-binding one with random site-energies and interaction between electrons. The Hartree-Fock approximation is adopted for the…

Condensed Matter · Physics 2007-05-23 D. Yoshioka , H. Kato

We investigate magnetic polarons in two-dimensional strongly correlated electron systems, where conduction electrons interact with antiferromagnetically interacting localized spins. Starting from a basic model, we derive a simplified model…

Strongly Correlated Electrons · Physics 2019-11-25 Takao Morinari

In the limit of infinite spatial dimensions a thermodynamically consistent theory of the strongly correlated electron systems, which is valid for arbitrary value of the Coulombic interaction ($U<\infty$), is built. For the Hubbard model the…

Strongly Correlated Electrons · Physics 2007-05-23 A. M. Shvaika

The ground state of the two-dimensional (2D) Hubbard model is investigated by adopting improved wave functions that take into account intersite electron correlation beyond the Gutzwiller ansatz. The ground-state energy is lowered…

Strongly Correlated Electrons · Physics 2016-11-09 Takashi Yanagisawa

The effect of multi-particle Coulomb final state interactions on higher-order intensity correlations is determined in general, based on a scattering wave function which is solution of the n-body Coulomb Schr\"odinger equation in (a large…

Nuclear Theory · Physics 2011-09-13 E. O. Alt , T. Csorgo , B. Lorstad , J. Schmidt-Sorensen

Following a recent work [Gal, Phys. Rev. A 64, 062503 (2001)], a simple derivation of the density-functional correction of the Hartree-Fock equations, the Hartree-Fock-Kohn-Sham equations, is presented, completing an integrated view of…

Chemical Physics · Physics 2008-09-11 Tamas Gal

Collective charge excitations directly probed in electron energy loss and inelastic X rays scattering spectroscopies play a key role in different fields of condensed matter physics. Being induced by the long-range part of the Coulomb…

Materials Science · Physics 2025-02-06 Pierluigi Cudazzo

A two-orbital two-electron diatomic model resembling LiH is used to investigate the differences between the exact L\"owdin-Shull and approximate Hartree-Fock-Bogoliubov and Baerends-Buijse density matrix functionals in the medium- to…

Chemical Physics · Physics 2020-09-09 Robert van Meer , Jeng-Da Chai

We develop two theoretical approaches for dealing with the low-energy effects of the repulsive interaction in one-dimensional electron systems. Renormalization Group methods allow us to study the low-energy behavior of the unscreened…

Strongly Correlated Electrons · Physics 2009-11-11 S. Bellucci , P. Onorato

The Hartree-Fock based diagonalization is a computational method for the investigation of the low-energy properties of correlated electrons in disordered solids. The method is related to the quantum-chemical configuration interaction…

Disordered Systems and Neural Networks · Physics 2007-05-23 Michael Schreiber , Thomas Vojta