Extension of the HF program to partially filled f-subshells

Published: 01-01-1996| Version 1 | DOI: 10.17632/tw67h48vk4.1
Gediminas Gaigalas,
Charlotte Froese Fischer


Abstract A new version of a Hartree-Fock program is presented that includes extensions for partially filled f subshells. The program allows the calculation of term dependent Hartree-Fock orbitals and energies in LS coupling for configurations with no more than two open subshells, including f subshells. Title of program: HF96 Catalogue Id: ADDZ_v1_0 Nature of problem This program determines non-relativistic, numerical radial functions and computes energy levels in the Hartree-Fock approximation. Versions of this program held in the CPC repository in Mendeley Data ADDZ_v1_0; HF96; 10.1016/0010-4655(96)00092-6 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)