A finite difference Hartree-Fock program for atoms and diatomic molecules
type: Item
instance of: scholarly article
title: A finite difference Hartree-Fock program for atoms and diatomic molecules
zbMATH Open document ID: 1302.81006
author: Jacek Kobus
published in: Computer Physics Communications
publication date: 2014-12-17T00:00:00Z
Mathematics Subject Classification ID: 81-04
Mathematics Subject Classification ID: 81Q05
Mathematics Subject Classification ID: 65M06
zbMATH DE Number: 6381389
zbMATH Keywords: Schrödinger equation of one-electron atomic and diatomic systems
zbMATH Keywords: restricted open-shell Hartree-Fock method
zbMATH Keywords: atoms
zbMATH Keywords: diatomic molecules
zbMATH Keywords: density functional theory potentials
zbMATH Keywords: finite field method
zbMATH Keywords: eighth-order discretization
zbMATH Keywords: (multicolour) successive overrelaxation
describes a project that uses: SRIM
describes a project that uses: 2dhf
MaRDI profile type: Publication
full work available at URL: j.cpc.2012.09.033
OpenAlex ID: W1976584589
Wikidata QID: Q115482734
cites work: A block preconditioned conjugate gradient method for solving high-order finite element matrix equations
cites work: Q5268614
cites work: A multigrid conjugate residual method for the numerical solution of the Hartree-Fock equation for diatomic molecules
cites work: Vectorizable algorithm for the (multicolour) successive overrelaxation method
cites work: Attribute decomposition of multidimensional inequality indices
cites work: Q3857636
cites work: Formulae for Numerical Differentiation
DOI: 10.1016/J.CPC.2012.09.033
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description: scientific article; zbMATH DE number 6381389