Equation of state of site-interaction fluids from the site–site correlation function

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Abstract
It is shown that, using a suitable molecular coordinate system, the equation of state of site‐interaction molecular fluids may be conviently calculated, both in the context of computer simulations and of theories. Using a zeroth‐order form of perturbation theory, knowledge of only the usual site–site pair correlation function is required to compute the resulting equation of state. The theory is illustrated for all short‐range site‐interaction fluid models for which computer simulation results are available. For all the models considered, our calculations are very accurate.