Simulation of SCF perturbation theory by a simple model potential method. Polarisabilities of divalent atomic species

Abstract

A simple model potential approach is described for the calculation of static and dynamic polar-isabilities of atomic species containing an s2 valence pair. Results differ considerably depending on whether coupling between the perturbed orbitals is neglected, values derived with the inclusion of intra-shell self-consistency being in good agreement with polarisabilities found by all-electron Coupled Hartree–Fock methods. Polarisabilities are given for a number of systems for which accurate, non-empirical results are not yet available.