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
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
Journal title :
Computer Physics Communications
