RELATIVISTIC MANY-BODY PERTURBATION CALCULATIONS FOR ZN AND CD AND THEIR SINGLY IONIZED IONS

Relativistic correlation energies have been computed for the closed-sh ell ground states of Zn and Cd and their singly ionized open-shell ion s by means of a recently developed relativistic many-body perturbation theory for open-shell multiplet states. All electrons were included i n the correlation calculations. Analytic basis sets of Gaussian spinor s are employed to expand the upper and lower components of the Dirac f our spinors in closed-and open-shell matrix Dirac-Fock and relativisti c many-body perturbation procedures. The ionization energies have been computed for the atoms, and the effects of relativity, electron corre lation, and the nonadditive interplay of these effects on the ionizati on energies are analyzed. (C) 1997 John Wiley & Sons, Inc.