The inverse problem in classical statistical mechanics

Abstract

We address the problem of whether there exists an external potential corresponding to a given equilibrium single particle density of a classical system. Results are established for both the canonical and grand canonical distributions. It is shown that for essentially all systems without hard core interactions, there is a unique external potential which produces any given density. The external potential is shown to be a continuous function of the density and, in certain cases, it is shown to be differentiable. As a consequence of the differentiability of the inverse map (which is established without reference to the hard core structure in the grand canonical ensemble), we prove the existence of the Ornstein-Zernike direct correlation function. A set of necessary, but not sufficient conditions for the solution of the inverse problem in systems with hard core interactions is derived.