Radial distribution function integral formulation

Other melting rules are formulated in terms of properties of the saturated liquid phase, focusing in particular on some feature of the structure as quantified by the radial distribution function g r). Ideally, these rules could be applied to predict the freezing transition of a molecular model using a correlation function given by (say) an integral equation theory for g r). 

These integral equation ideas of monatomic liquids were generalized and applied to molecular liquids by Chandler and Andersen [6,8] to formulate the Reference Interaction Site Model or RISM theory of molecular fluids. In the RISM approach, each molecule is subdivided into spherically symmetric, interaction sites. The intermolecular pair structure of a uniform molecular liquid of M molecules is now specified through a site-site radial distribution function matrix gaY(r) ... 

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