Improved model calculations for the alkali–rare gas interaction

Abstract

The alkali–rare gas potentials are recalculated using the Baylis model for the electronic interaction. Discrepancies with experimental results found in earlier applications of this model are due mainly to numerical approximations. A more realistic cutoff function for the polarization term is introduced and its influence is investigated. For Na–Ne the model fails to reproduce the experimental results. For the A 2Π potential of Na–Ar, Kr, and Xe the remaining discrepancies, which are now entirely due to the model, are 10%–30% for the well depth and 10% for the equilibrium distance.