Self-consistent field hartree-fock program for atoms
Published: 1 January 1976| Version 1 | DOI: 10.17632/c6gwbzwbfh.1
Contributors:
L.V. Chernysheva, N.A. Cherepkov, V. RadojevićDescription
Title of program: ATOMIC SCF HARTREE-FOCK Catalogue Id: AAKQ_v1_0 Nature of problem The present program calculates one-electron radial wave function and energy eigenvalues by solving non-relativistic single-configuration Hartree-Fock (HF) equations for bound states of an atom. Versions of this program held in the CPC repository in Mendeley Data AAKQ_v1_0; ATOMIC SCF HARTREE-FOCK; 10.1016/0010-4655(76)90040-0 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
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Categories
Atomic Physics, Computational Physics