Structure of molecular liquids.

We present a method for calculating, by computer simulation, the direct correlation function c(1; 2) for a molecular liquid in the form of a spherical harmonic expansion. This allows us to test, at the most fundamental level, predictions of the structure of molecular liquids using density functional and integral equation approaches. As an example, we test some simple ansatzes for c(1; 2) for prolate hard ellipsoids of revolution.