Pseudopotential Theory of Atoms and Molecules. II. Hylleraas-Type Correlated Pair Functions for Atoms with Two Valence Electrons

The method for the calculation of correlated pair functions developed in the first part of this series is applied to the calculation of Hylleraas-type functions for the valence electron pair of the atoms: Li−, Be, B+, C2+, Na−, Mg, Al+, Si2+, K−, Ca, Rb−, Cu−, Zn, and Ag. − Six-parameter expansions are computed for all these atoms and 15- and 20-parameter expansions are computed for Li− and Be. Using the results the first ionization potentials are computed and are found to be in good agreement with previous ab initio calculations and with the empirical values.