FAILURE OF MULTICONFIGURATION DIRAC-FOCK WAVE-FUNCTIONS IN THE NONRELATIVISTIC LIMIT

Citation
Yk. Kim et al., FAILURE OF MULTICONFIGURATION DIRAC-FOCK WAVE-FUNCTIONS IN THE NONRELATIVISTIC LIMIT, Physical review. A, 58(3), 1998, pp. 1885-1888
Citations number
11
Categorie Soggetti
Physics
Journal title
ISSN journal
10502947
Volume
58
Issue
3
Year of publication
1998
Pages
1885 - 1888
Database
ISI
SICI code
1050-2947(1998)58:3<1885:FOMDWI>2.0.ZU;2-2
Abstract
Multiconfiguration Dirac-Fock (MCDF) wave functions for a specific J q uantum number may not reduce to the appropriate nonrelativistic limit for the L and S quantum numbers. Transition probabilities calculated f rom such MCDF wave functions for spin-forbidden transitions are unreli able. Remedies for this problem are discussed, including the advantage s of using nonorthogonal radial orbitals. It is also shown that transi tion probabilities for weak transitions are sensitive to the way the B reit interaction is introduced.