A theory for site–site pair distribution functions of molecular fluids

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Abstract
A theory for site–site pair distribution functions of molecular fluids is presented. This theory is analogous to the RISM theory, but it is not restricted to interaction site pair potentials. It was derived directly from the Ornstein–Zernike equation using Fourier–Wigner series. Results of the theory for homonuclear diatomic pair potentials are compared with corresponding results obtained from the RISM theory and from computer simulation studies. The relationship between the RISM equation for homonuclear hard sphere diatomic pair potentials and the theory presented is given.