Integrals over pair- and triplet-correlation functions for the Lennard-Jones (12–6)-fluid

Abstract

New interpolation equations are given for some typical integrals over pair- and triplet-correlation functions of a Lennard-Jones (12–6)-fluid. These integrals extend over a large region of states and can easily be differentiated with respect to density and temperature. The integrals over the triplet-correlation function were simulated in Monte Carlo calculations, thus avoiding the use of the superposition approximation. The performance of this approximation is briefly discussed.