The dielectric virial coefficient and model intermolecular potentials

Abstract

The second dielectric virial coefficient for HCl has been computed over a range of temperatures using several model potentials, and a number of approximations have been tested. Several approximations made in earlier work are shown to lead to substantial errors in the computed dielectric virial coefficient. The dielectric virial coefficient is a sensitive test of model potentials, but the calculations need to be carried out accurately. Values are predicted for water, carbon monoxide, HF, HCN and FCH₃.