A non-relativistic SCF atomic program to compute one-electron energies, total energies, and slater integrals

Published: 01-01-1974| Version 1 | DOI: 10.17632/5ty7wmtpdy.1
Contributors:
John H. Wood,
Michael Boring

Description

Title of program: HERSKLZARE Catalogue Id: AAKG_v1_0 Nature of problem The program HERSKLZARE performs non-spin-polarized nonrelativistic self-consistent field calculations for atoms and ions through use of an approximate exchange potential (a number of different approximations are available to the program). Having calculated central field radial wave functions and eigenvalues, the total energy, I, F, G integrals etc, can be calculated. CORRECTION SUMMARY: Vol:Year:Page 10:1976:434 "000A CORRECTION 5/09/75" "A non-relativistic SCF atomic program to compute one-electron energies, total energies and Slater integrals. (C.P.C. 7(1974)73)." J.H. Wood; M. Boring Note: correction instructions are contained in source code Versions of this program held in the CPC repository in Mendeley Data AAKG_v1_0; HERSKLZARE; 10.1016/0010-4655(74)90042-3 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)

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