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Relativistic configuration interaction calculations for open-shell atomic systems

✍ Scribed by Konrad Koc; Yasuyuki Ishikawa; Takashi Kagawa

Publisher: Elsevier Science
Year: 1994
Tongue: English
Weight: 621 KB
Volume: 231
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(94)01289-x

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✦ Synopsis

A relativistic configuration interaction method, which can handle a general 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) 7941 with the relativistic configuration interaction algorithm of Kagawa et al.

[ Phys. Rev. A 44 ( 199 1) 70921. We employ basis sets of Gaussian-type functions to expand the large and small components of Dirac four-spinors. Relativistic configuration interaction calculations are tested on the ground and low-lying excited states of He and He-like ions.

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