Interaction site fluids numerical solutions

Theories based on the solution to integral equations for the pair correlation fiinctions are now well developed and widely employed in numerical and analytic studies of simple fluids [6]. Furtlier improvements for simple fluids would require better approximations for the bridge fiinctions B(r). It has been suggested that these fiinctions can be scaled to the same fiinctional fomi for different potentials. The extension of integral equation theories to molecular fluids was first accomplished by Chandler and Andersen [30] through the introduction of the site-site direct correlation fiinction c r) between atoms in each molecule and a site-site Omstein-Zemike relation called the reference interaction site... 

The difference between and the full renormalized potential is a well-behaved function that is evaluated numerically. The interest in the renormalization procedure is now mainly a theoretical one as formal results regarding screening and other thermodynamic parameters can be obtained this way. Results applicable to both pure one-component fluids or mixtures can be obtained. The numerical solution of integral equations, such as the SSOZ and CSL equations, for sites with charge interactions should no longer use the renormalization method but rather the method we are about to describe. 

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