Abstract
This paper discusses the first numerical solutions of the reference interaction site model (RISM) equation which was proposed by Chandler and Andersen [J. Chem. Phys. 57, 1930 (1972)] to provide a theory for the equilibrium pair correlations of molecular fluids in which the ``molecules'' are composed of fused hard spheres. The particular system studied herein is a one component fluid in which the molecules are symmetric ``diatomics'' (i.e., each is formed by two hard spheres of diameter σ with the centers of the spheres a distance L from each other). It is shown that the accuracy of the RISM equation for this molecular fluid is comparable to that of the Percus-Yevick equation for dense hard sphere fluids. Numerous calculations are presented which illustrate the usefulness of this theory in providing a detailed description of the intermolecular structure of complex fluids. One calculation provides a theory for the structure of liquid nitrogen.
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