Dynamics and ensemble averages for the polarization models of molecular interactions

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Abstract
A family of ’’polarization models’’ has been generated for description of polarizable and deformable molecules in condensed phases. Within these models the intermolecular forces are not pairwise additive, but have a many‐body component that generalizes the polarization interactions present in conventional electrostatics. It is shown that the classical dynamical equations have a rather compact form, in spite of the many‐body interactions. Novel molecular distribution functions are introduced in terms of which the usual formulas of statistical thermodynamics can be expressed. Finally, the static dielectric constant is discussed for the polarization models, and it is related to fluctuating local moments in the system.

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