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
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.