Relativistic Many-Body Perturbation Calculations For Zn And Cd And Their Singly Ionized Ions

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