Hard gaussian overlap fluids

Abstract

The hard molecule analogue of the gaussian overlap model of Berne and Pechukas has considerable merit as a flexible representation of axially symmetrical rigid molecules. In this paper the fluid phase of such systems has been studied, through calculations of the virial coefficients B ₂-B ₅, for length/breadth ratios from 0·10 to 10·0. In addition, the fluid phase of systems with length/breadth between 0·5 and 2 has been studied by Monte Carlo simulation.