Theory of Atomic Motions in Simple Classical Liquids
Abstract
This paper is an attempt towards developing a theory of the selfmotion of atoms in monatomic classical fluids, based on a simplified Liouville equation and on a knowledge of the interaction potential V(r) and the static pair correlation function g(r). A nonlinear integral equation for the velocity autocorrelation function Φ(t) is derived which under certain approximations can be written as dΦ(t)dt+tK(t t')Φ(t')dt'=0 where the kernel K(t) is an implicit function of Φ(t). An expression for K(t) in terms of V(r) and g(r) has been given. Explicit numerical calculations for the "memory" function K(t) have been made for liquid argon at T=85.9°K, and the results have been compared with those obtained by Rahman from his machine computations.
 Publication:

Physical Review
 Pub Date:
 March 1968
 DOI:
 10.1103/PhysRev.167.152
 Bibcode:
 1968PhRv..167..152S