The site-site correlation functions of molecular fluids

We present results for the site-site pair correlation functions of a wide range of site interaction molecular fluid models for which computer simulation data are available. The calculations are obtained via zeroth order RAM perturbation theory using a site-centred molecular coordinate system. For homonuclear diatomics, both of hardsphere and Lennard-Jones type, our results are excellent. For heteronuclear diatomics and triatomics, the results range from excellent to poor. Possible means of improving the results in the latter cases are discussed.

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