On the direct inclusion of polarization into an electron gas model for closed shell atom–ion interactions

Abstract

A general extension of the Gordon and Kim method has been made which allows polarized atomic charge densities to be used. Comparisons with ab initio studies for He + Li⁺ and He + Na⁺ show that good agreement can be obtained without any empirical modification of the polarization energy but that an exchange correction is necessary in the He + Li⁺ system. Results for He + Li⁺, He + Na⁺ and He + F^– are compared with the modified Drude model and show smaller differences than might be expected.