A finite difference Hartree-Fock program for atoms and diatomic molecules

Computer Physics Communications

Volumn 184, Issue 3, 2013, Pages 799-811

  Kobus, Jacek ^a  

^a NICOLAUS COPERNICUS UNIVERSITY   (Poland)

Author keywords

(Multicolour) successive overrelaxation; Atoms; Density functional theory potentials; Diatomic molecules; Eighth order discretization; Finite field method; Restricted open shell Hartree Fock method; Schr dinger equation of one electron atomic and diatomic systems

Indexed keywords

DIATOMIC MOLECULES; DIATOMIC SYSTEMS; DISCRETIZATIONS; FINITE FIELD METHODS; HARTREE-FOCK METHODS; SUCCESSIVE OVER RELAXATION;

ATOMS; DENSITY FUNCTIONAL THEORY; FINITE ELEMENT METHOD;

MOLECULES;

EID: 84872019563     PISSN: 00104655     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cpc.2012.09.033     Document Type: Article

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