Simple model potential and model wave functions for (H–alkali)+ and (alkali–alkali)+ ions

Abstract

A simple model potential is proposed to describe the interaction of a valence electron with the alkali core, which incorporates the correct asymptotic behavior in terms of dipolar polarizabilities, and the short-range exchange effects in terms of a hard core adjusted to give the correct energy for the valence electron. Based on this potential, simple wave functions are developed to describe the (H–alkali)+ and (alkali–alkali)+ ions. These wave functions exhibit some important structures of the ions, and provide a universal description of the properties of all (H–alkali)+ and (alkali–alkali)+ ions, in particular, the equilibrium separations of the nuclei and the corresponding dissociation energies. They also allow us to calculate the dipolar polarizabilities of Li2+, Na2+, K2+, Rb2+, and Cs2+.