THEORY AND SIMULATION OF POLAR AND NONPOLAR POLARIZABLE FLUIDS

The theory of polarizable fluids is developed on the basis of a model fluid consisting of anisotropic Drude oscillators with embedded perman ent dipoles. A matrix Monte Carlo method is used to simulate these flu ids and to compare their dielectric properties with the predictions of the mean spherical approximation (MSA) theory. Simple identities are used in conjunction with the matrix expressions to derive mean spheric al approximations to the screening functions for charges and permanent multipoles in polarizable fluids. This is useful in the theory of the solvated electron.