Square-well perturbation theory for the structure of simple fluids

Abstract

A perturbation theory based on the square well reference system is applied to calculate the radial distribution function of simple fluids. Results are presented for the Lennard-Jones fluid and comparison is made with molecular dynamics and with the EXP and ORPA results. The SW perturbation theory is shown to give excellent results to zeroth order in different thermodynamic states. A convenient representation of the SW radial distribution function is also presented.