Direct correlation function of the hard-sphere fluid

Abstract

Two analytic approximations for the direct correlation function of a hard-sphere fluid are considered. The first follows from a generalization of the Percus–Yevick result in d dimensions, whereas the second arises in the Rational Function Approximation (RFA) method. Both approximations require the equation of state of the hard-sphere fluid as input. The results, derived after use of the Carnahan–Starling and the Padé 4,3 equations of state in both approaches, are compared with simulation data. The comparison shows that the first approximation is rather accurate in the region inside the core, but inherits the limitation of the Percus–Yevick theory for distances beyond the hard-sphere diameter. On the other hand, the results of the RFA method are also accurate inside the core and capture well the initial part of the tail beyond the hard-sphere diameter, but fail to account for the subsequent oscillations observed in the simulations. Other merits and limitations of the two approaches are reported.