HNC solution for the central force model for liquid water

Abstract

Beginning with the central force model for water introduced by Lemberg, Stillinger, and Rahman, the HNC approximation method has been used to calculate the atom–atom pair correlation functions of a state of liquid water. Although a stable and accurate solution to the HNC equation for the model is obtained using the Rossky–Dale algorithm, the structure and thermodynamics agree only crudely with the published molecular dynamics results for the same model and the same N, V, T state.