Equations of state for simple liquids from the Gaussian equivalent representation method

TL;DR

This paper introduces a novel method using the Gaussian equivalent representation to derive equations of state for simple liquids, enabling calculation of thermodynamic properties for various inter-molecular potentials.

Contribution

The paper presents a new approach for deriving equations of state for simple liquids that can handle arbitrary two-body potentials, improving computational flexibility.

Findings

Allows computation of partition functions for arbitrary potentials

Potential to reduce the sign problem in simulation methods

Applicable to simple liquids and polymer systems

Abstract

Within the framework of Gaussian equivalent representation method a new procedure of obtaining equations of state for simple liquids is discussed in some technical details. The developed approach permits one to compute partition and distribution functions for simple liquids with arbitrary form of the central two-body potential of inter-molecular interaction. The proposed approach might become of great use for computing thermodynamic and structural quantities of simple particle and polymer systems. We believe that this technique can also provide an interesting possibility to reduce the sign problem of other methods of computer simulation based on a functional integral approach.