RELATIVISTIC CONFIGURATION-INTERACTION CALCULATIONS FOR OPEN-SHELL ATOMIC SYSTEMS

Citation
K. Koc et al., RELATIVISTIC CONFIGURATION-INTERACTION CALCULATIONS FOR OPEN-SHELL ATOMIC SYSTEMS, Chemical physics letters, 231(4-6), 1994, pp. 407-413
Citations number
33
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
ISSN journal
00092614
Volume
231
Issue
4-6
Year of publication
1994
Pages
407 - 413
Database
ISI
SICI code
0009-2614(1994)231:4-6<407:RCCFOA>2.0.ZU;2-0
Abstract
A relativistic configuration interaction method, which can handle a ge neral class of open-shell multiplets as the reference configurations, has been developed by combining the open-shell matrix Dirac-Fock self- consistent field algorithm implemented by Koc and Ishikawa [Phys. Rev. A 49 (1994) 794] with the relativistic configuration interaction algo rithm of Kagawa et al. [Phys. Rev. A 44 (1991) 7092]. We employ basis sets of Gaussian-type functions to expand the large and small componen ts of Dirac four-spinors. Relativistic configuration interaction calcu lations are tested on the ground and low-lying excited states of He an d He-like ions.