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We present an accurate free-energy functional for liquid water written interms of a set of effective potential fields in which fictitious noninteractingwater molecules move. The functional contains an \emph{exact} expression of theentropy of noninteracting molecules and thus provides an ideal starting pointfor the inclusion of complex inter-molecular interactions which depend on the\emph{orientation} of the interacting molecules. We show how an excessfree-energy functional can be constructed to reproduce the following propertiesof water: the dielectric response; the experimental site-site correlationfunctions; the surface tension; the bulk modulus of the liquid and thevariation of this modulus with pressure; the density of the liquid and thevapor phase; and liquid-vapor coexistence. As a demonstration, we presentresults for the application of this theory to the behavior of liquid water in aparallel plate capacitor. In particular, we make predictions for the dielectricresponse of water in the nonlinear regime, finding excellent agreement withknown data.

Classical density-functional theory of inhomogeneous water including explicit molecular structure and nonlinear dielectric response