1980/10/31 by S. W. de Leeuw, J. W. Perram, E. R. Smith
paper · doi:10.1098/rspa.1980.0136
Abstract We consider simulations of dipolar systems under periodic boundary conditions in which a large sphere consisting of periodic replications of a central simulation cell is surrounded by a continuum of dielectric constant ε'. We develop a perturbation theory expressing correlation functions with ε" in terms of correlation functions with ε' exactly to order N*1, N being the number of particles in the sample. In the thermodynamic limit, the correlation functions and internal energy density are independent of e The Kirkwood g-factor is strongly dependent on ε ' but in such a way as to make the dielectric constant independent of ε'. The dependence upon ε' of hAr) at large r, described in paper I, is explained in terms of the perturbation series.