Perturbation theory for the radial distribution function
- 1 January 1971
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 22 (6) , 1089-1105
- https://doi.org/10.1080/00268977100103401
Abstract
Perturbation theory is used to consider expansions for the radial distribution function, g 2(r), of a fluid with a soft core. We consider the Lennard-Jones (12, 6) potential and divide it into repulsive and attractive regions. In the repulsive region we expand the function exp (β u(r))g 2(r) about a hard sphere value. For the first-order contribution of the attractive region we consider a simple approximation to the exact analytical expression. The resulting g 2(r) is accurate at densities below about ρσ 3=0·5.Keywords
This publication has 22 references indexed in Scilit:
- Role of Repulsive Forces in Determining the Equilibrium Structure of Simple LiquidsThe Journal of Chemical Physics, 1971
- Monte Carlo values for the radial distribution function of a system of fluid hard spheresMolecular Physics, 1971
- Perturbation and Variational Approaches to Equilibrium Thermodynamics of Gases, Liquids, and Phase TransitionsIndustrial & Engineering Chemistry, 1970
- Approximate Evaluation of the Second-Order Term in the Perturbation Theory of FluidsThe Journal of Chemical Physics, 1970
- Perturbation theory and liquid mixturesTransactions of the Faraday Society, 1970
- Note on the Perturbation Equation of State of Barker and HendersonThe Journal of Chemical Physics, 1969
- Variational Approach to the Equilibrium Thermodynamic Properties of Simple Liquids. IThe Journal of Chemical Physics, 1969
- Perturbation Theory and Equation of State for Fluids: The Square-Well PotentialThe Journal of Chemical Physics, 1967
- An equation of state of gases at high temperatures and densitiesMolecular Physics, 1964
- Statistical Mechanical Theory of Transport Processes. VII. The Coefficient of Thermal Conductivity of Monatomic LiquidsThe Journal of Chemical Physics, 1954