Computer simulations of a continuum system of molecules with a hardhyphen;core interaction in the grand canonical ensemble

摘要

A method to simulate a semihyphen;infinite continuum system in the grand canonical ensemble is proposed. It uses a Monte Carlo method to evaluate the largest eignvalue of the Kramersndash;Wannier matrix. For a twohyphen;dimensional system of parallel hard squares the pressure and the density computed from the proposed grandhyphen;canonicalhyphen;ensemble method show satisfactory agreement with the corresponding canonicalhyphen;ensemble calculations at densities below 72percnt; of the closehyphen;packed density. An approximate method for highhyphen;density calculations is proposed.