Title of article
A numerical Hartree-Fock program for diatomic molecules Original Research Article
Author/Authors
Jacek Kobus، نويسنده , , Leif Laaksonen، نويسنده , , Dage Sundholm، نويسنده ,
Issue Information
دوهفته نامه با شماره پیاپی سال 1996
Pages
13
From page
346
To page
358
Abstract
This paper describes an algorithm and a computer program which solves numerically (virtually exactly) equations of the restricted open-shell Hartree-Fock and Hartree-Fock-Slater model for diatomic molecules
Keywords
8th-order discretization , Successive overrelaxation , Multicolour successive overrelaxation , Prolate spheroidal coordinates , Restricted open-shell Hartree-Fock-(Slater) method
Journal title
Computer Physics Communications
Serial Year
1996
Journal title
Computer Physics Communications
Record number
1134231
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