Abstract

We present the site-site direct correlation function c(r) for a fluid of hard diatomic symmetric molecules obtained from Monte Carlo simulation data via the RISM integral equation. This c(r) ensures that the site-site correlation function given by the RISM equation is exact, and thus provides a basis for critically examining the usual closure for the RISM equation. As an example of an improved closure we present the analytic solution of the RISM integral equation with a Yukawa closure for c(r).

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