A pair interaction potential for rubidium calculated from thermodynamic and neutron diffraction data

A new thermodynamically self-consistent approximation relating the structure factor to the pair interaction potential is applied to the calculation of an effective pair potential for liquid rubidium by use of the structure factor measurements of Wingfield and Enderby (1972). Explicit treatment of the density dependence of the potential is avoided by using data taken at constant density and two temperatures, and constraining the approximation to reproduce the correct constant volume specific heat. It is further required that the temperature dependence of the resulting potential be minimal. The approximate potential is shown to reproduce the experimental structure data when used in a molecular dynamics computer calculation.