Perturbation weighted-density approximation: The phase diagram of a Lennard-Jones system
- 1 June 1993
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review E
- Vol. 47 (6) , 4284-4288
- https://doi.org/10.1103/physreve.47.4284
Abstract
We present a density-functional approach for the Helmholtz free energy of simple liquids, based on the separation of attractive and repulsive interactions and within the framework of the weighted-density approximations. The approach reduces to the standard perturbation theory of simple fluids for the homogeneous vapor and liquid phases. It gives a good description of the correlation structure in the crystal, based on a local-compressibility equation. The phase diagram of a Lennard-Jones system is obtained and compared with a computer simulation.Keywords
This publication has 26 references indexed in Scilit:
- Nonperturbative density-functional theories of classical nonuniform systemsPhysical Review A, 1990
- Freezing in the density functional approach: Effect of third-order contributionsThe Journal of Chemical Physics, 1988
- The freezing of simple liquid metals: density functional approach to the structural stability of the crystalline phaseJournal of Physics C: Solid State Physics, 1987
- Weighted-density-functional theory of inhomogeneous liquids and the freezing transitionPhysical Review A, 1985
- The freezing of hard spheresMolecular Physics, 1985
- Free-energy density functional for hard spheresPhysical Review A, 1985
- A density functional theory of meltingMolecular Physics, 1984
- A molecular theory for the solid–liquid interfaceThe Journal of Chemical Physics, 1981
- The nature of the liquid-vapour interface and other topics in the statistical mechanics of non-uniform, classical fluidsAdvances in Physics, 1979
- First-principles order-parameter theory of freezingPhysical Review B, 1979