The gaussian overlap model again

Abstract

An extension of the Weeks-Chandler-Andersen theory to systems of axisymmetric molecules interacting through the gaussian-overlap pair potential with a constant well-depth is proposed. An approximation based on the previous MD experiments for the dependence of the molecular distribution function on orientation of a pair of molecules leads to simple expressions for the thermodynamic functions of a pure fluid. Theory yields values of both the reference and perturbation Helmholtz energies in excellent accord with the recent simulation data.