F. Lado, ORTHOGONAL POLYNOMIAL APPROACH TO FLUIDS WITH INTERNAL DEGREES OF FREEDOM - THE CASE OF NONPOLAR, POLARIZABLE MOLECULES, Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics, 55(1), 1997, pp. 426-435
The molecules of real liquids have internal degrees of freedom that ma
y couple with the external ones of position and orientation so that th
ey affect and are affected by the microscopic liquid structure. For ca
ses where the internal coordinates possess a Boltzmann-like distributi
on, a procedure is described whereby such coordinates can be incorpora
ted into the conventional formulation of classical liquid theory with
no approximations beyond some reliable closure relation familiar from
simple liquids. The basis of the procedure is expansions in appropriat
e orthogonal polynomials of the internal coordinates. This program is
successfully carried out for a classical model of nonpolar, polarizabl
e molecules treated as Drude oscillators, generalizing published solut
ions of the mean spherical approximation for the same model.