SINGLE CONFIGURATION DIRAC-FOCK ATOM CODE

Authors
ANKUDINOV AL ZABINSKY SI REHR JJ
Citation
Al. Ankudinov et al., SINGLE CONFIGURATION DIRAC-FOCK ATOM CODE, Computer physics communications, 98(3), 1996, pp. 359-364
Citations number
7
Categorie Soggetti
Mathematical Method, Physical Science","Physycs, Mathematical","Computer Science Interdisciplinary Applications
Journal title
Computer physics communications → ACNP
ISSN journal
00104655
Volume
98
Issue
3
Year of publication
1996
Pages
359 - 364
Database
ISI
SICI code
0010-4655(1996)98:3<359:SCDAC>2.0.ZU;2-3
Abstract
A single configuration version of the multiconfigurational Dirac-Fock atomic code of Desclaux has been developed into an automated FORTRAN 7 7 subroutine, requiring only the atomic number as input. The output co ntains energies, wavefunctions, densities and other data similar to th at in atomic structure tables.