RELATIVISTIC MODIFICATION OF ASYMPTOTIC CONFIGURATION-INTERACTION IN THE CARBON ISOELECTRONIC SEQUENCE

Citation
K. Koc et al., RELATIVISTIC MODIFICATION OF ASYMPTOTIC CONFIGURATION-INTERACTION IN THE CARBON ISOELECTRONIC SEQUENCE, Chemical physics letters, 263(1-2), 1996, pp. 338-344
Citations number
27
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
ISSN journal
00092614
Volume
263
Issue
1-2
Year of publication
1996
Pages
338 - 344
Database
ISI
SICI code
0009-2614(1996)263:1-2<338:RMOACI>2.0.ZU;2-K
Abstract
Relativistic configuration interaction and many-body perturbation calc ulations have been performed on the J = 0 ground state of the carbon i soelectronic sequence up to Z = 106 (Z is nuclear charge) to establish quantitatively the way relativity alters the asymptotic configuration interaction. Although it is inappropriate to use relativistic many-bo dy perturbation theory (RMBPT) based on a single-configuration referen ce state (1s(2)2s(2)2p(1/2)(2) J = 0) for low-Z members of the isoelec tronic sequence due to strong mixing among several configuration state s (i.e, quasi-degeneracy), the results of relativistic configuration i nteraction and many-body perturbation calculations demonstrate that RM BPT can be applied successfully to high-Z members in which strong mixi ng almost vanishes.