A comparison between computer simulation and theoretical results for fluids of dipolar soft spheres

Abstract

In this paper we report results determined by computer simulation and the reference hypernetted-chain (RHNC) and reference linearized HNC (RLHNC) integral equation theories for dipolar soft-sphere fluids. Comparison of values obtained indicates that the average energies, the pressures and the pair distribution functions given by both theories are reasonably accurate. The rather poor agreement found for the static dielectric constant is discussed. Computer simulation results for the closely related Stockmayer fluid are also included. The effect of the short-range potential upon the equilibrium and dynamical properties of these systems as well as its influence upon the accuracy of the RHNC and RLHNC approximations is examined.