Perturbation theories for molecular fluids

Abstract

Numerical results for two recently developed theories of molecular fluids are presented and discussed in the case of the hard dumbell fluid over a range of atomic separations. Results for the complete angular-dependent pair distribution function and its spherical harmonic expansion coefficients are more accurate in the case of the RAM theory. The BLIP function theory is satisfactory only at small atomic separations. A novel reduced form of distribution function is proposed and its general theoretical and computational implications discussed.