Abstract
AbstractPseudo‐spherical harmonic expansions of two body functions such as pair potential and pair correlation functions are proposed for molecular systems interacting by the Gay‐Berne Gaussian overlap potential (GOBG potential) and the site‐site diatomic potential. It is shown that the choice of surfaces representing the repulsive cores of the potentials provides rapid convergence of the series, thereby allowing for the calculation of thermodynamic properties and for the study of the orientational structure of the fluids by series resummations. Significant differences in the structures of the GOBG and the site‐site diatomic liquids are brought out using this technique.
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