ABSTRACT
Explicit analytical expressions are presented for the density derivative, ∂gHS(R; ρ)/∂ρ, of the Percus–Yevick approximation to the hard-sphere radial distribution function for R ≤ 6σ, where σ is the hard-sphere diameter and ρ = (N/V)σ3 is the reduced density, where N is the number of particles and V is the volume. A FORTRAN program is provided for the implementation of these for R ≤ 6σ, which includes code for the calculation of gHS(R; ρ) itself over this range. We also present and incorporate within the program code convenient analytical expressions for the numerical extrapolation of both quantities past R = 6σ. Our expressions are numerically tested against exact results.
Supplemental data for this article can be accessed at http://dx.doi.org/10.1080/00268976.2016.1164908.
Disclosure statement
No potential conflict of interest was reported by the authors.