Polarizability functions of heteronuclear diatomic molecules: Semiempirical approach

Abstract

A semiempirical method is discussed to construct the polarizability functions for a diatomic heteronuclear molecule as a piecewise-continuous function that exhibits physically correct behavior at small and large internuclear distances and agrees with the polarizability function near the equilibrium position of the molecule nuclei. The method is applied to calculate the static polarizability functions of LiH, HF, HCl and CO molecules in the range of internuclear distances [0, ∞).