Linearised Version of the Optimised Random Phase Approximation. Application to the Structure of Dense Fluids and Metallic Potentials

Abstract

AbstractA linearised version (LORPA) is given of the optimised random phase approximation (ORPA) of Andersen, Weeks, and Chandler. The LORPA allows straightforward calculations of the structure of fluids interacting via hard core plus long range pair forces. Standard potentials are analyzed to show that the LORPA is as efficient as the ORPA for the prediction of the structure of dense fluids. The advantage of the method is pointed out for metallic systems by considering gallium‐like and germanium‐like oscillatory interactions. It is shown that the LORPA reproduces the special structures of these metals as well as the ORPA. Therefore this method would be particularly useful for the systematical analysis of metallic potentials in liquid alloys.