Hartree Fock Slater self consistent field calculations

Published: 01-01-1970| Version 1 | DOI: 10.17632/mdmgxyy2zv.1
Contributor:
J.P. Desclaux

Description

Title of program: H.F.S. SELF CONSISTENT FIELD Catalogue Id: ACQI_v1_0 Nature of problem With present programs the Hartree-Fock (H.F.) equations can be treated for nearly all configurations. It has been shown, however, that accurate electron binding energies can be obtained without use of the comparatively complicated H.F. scheme. Since the main difficulty posed by the H.F. equations is the treatment of the non local exchange potential it would be desirable to find a good local approximation to the H.F. potential. The approximation suggested by Slater is used in this program as it h ... Versions of this program held in the CPC repository in Mendeley Data ACQI_v1_0; H.F.S. SELF CONSISTENT FIELD; 10.1016/0010-4655(70)90008-1 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)

Files