Extension of the HF program to partially filled f-subshells
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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)
创建时间：
1996-01-01
