We have carried out a detailed comparison of the direct and indirect correlation functions obtained from canonical molecular dynamics (NVT-MD) simulation of supercritical Lennard-Jones fluids to the results obtained by solving the Ornstein–Zernike equation with the approximate Duh–Henderson...

We calculate, through Monte Carlo (MC) numerical simulations, the partial total and direct correlation functions of the three dimensional symmetric Widom–Rowlinson mixture. We find that the differences between the partial direct correlation functions from simulation and from the...

A recent density functional theory for the inhomogeneous hard-sphere fluid expresses the free-energy in terms of a set of derivatives, with respect to the particle radius, of a simple generating function. In the present paper this generating function approach (GFA) is reformulated in terms of...