A numerical Hartree-Fock program for diatomic molecules

Computer Physics Communications

Volumn 98, Issue 3, 1996, Pages 346-358

  Kobus, Jacek ^a   Laaksonen, Leif ^b   Sundholm, Dage ^c  

^a NICOLAUS COPERNICUS UNIVERSITY   (Poland)

^b IT Center for Science   (Finland)

^c UNIVERSITY OF HELSINKI   (Finland)

Author keywords

8th order discretization; Multicolour successive overrelaxation; Prolate spheroidal coordinates; Restricted open shell Hartree Fock (Slater) method; Successive overrelaxation

Indexed keywords

ALGORITHMS; C (PROGRAMMING LANGUAGE); FORTRAN (PROGRAMMING LANGUAGE); MOLECULAR PHYSICS; MOLECULES; NUMERICAL METHODS; PARTIAL DIFFERENTIAL EQUATIONS;

DIATOMIC MOLECULES; HARTREE-FOCK PROGRAM; MULTICOLOUR SUCCESSIVE OVERRELAXATION; PROLATE SPHEROIDAL COORDINATES;

COMPUTER SOFTWARE;

EID: 0030286966     PISSN: 00104655     EISSN: None     Source Type: Journal    
DOI: 10.1016/0010-4655(96)00098-7     Document Type: Article

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