Relativistic configuration interaction calculations for open-shell atomic systems
CHEMICAL PHYSICS LETTERS(1994)
摘要
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) 794] with the relativistic configuration interaction algorithm of Kagawa et al. [Phys. Rev. A 44 (1991) 7092]. 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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