Velocity autocorrelation function and diffusion coefficient in a liquid. II

Abstract

For Pt. I see abstr. A68718 of 1971. Calculations are reported of the diffusion coefficient and frequency spectrum of the velocity autocorrelation function under conditions of temperature and density appropriate to liquid argon at the triple point. They are based on a theory of the associated memory function, in which the latter is given in terms of the radial distribution function and the selfcorrelation function of an atom in the liquid. Numerical values of the memory function are also given and compared with results obtained from computer experiments.