Theory for the Forces between Closed-Shell Atoms and Molecules

Abstract

A simple model is presented for calculating the forces between closed-shell atoms and molecules in the regions both of the attractive well and of the repulsive wall at shorter distances. Account is taken of both the overlap of the separate atomic densities and of electron correlation. Applications to pairs of rare gas atoms and to alkali halide molecules demonstrate quantitative agreement with empirically determined intermolecular potentials for these systems over the whole range of separations inside and including the potential minimum.