EXTENSION OF THE HF PROGRAM TO PARTIALLY FILLED F-SUBSHELLS

Authors
GAIGALAS G FISCHER CF
Citation
G. Gaigalas et Cf. Fischer, EXTENSION OF THE HF PROGRAM TO PARTIALLY FILLED F-SUBSHELLS, Computer physics communications, 98(1-2), 1996, pp. 255-264
Citations number
8
Categorie Soggetti
Mathematical Method, Physical Science","Physycs, Mathematical","Computer Science Interdisciplinary Applications
Journal title
Computer physics communications → ACNP
ISSN journal
00104655
Volume
98
Issue
1-2
Year of publication
1996
Pages
255 - 264
Database
ISI
SICI code
0010-4655(1996)98:1-2<255:EOTHPT>2.0.ZU;2-6
Abstract
A new version of a Hartree-Fock program is presented that includes ext ensions for partially filled f subshells. The program allows the calcu lation of term dependent Hartree-Fock orbitals and energies in LS coup ling for configurations with no more than two open subshells, includin g f subshells.