Choosing the reference system for liquid state perturbation theory
- 1 July 1984
- journal article
- research article
- Published by Informa UK Limited in Molecular Physics
- Vol. 52 (4), 871-876
- https://doi.org/10.1080/00268978400101621
Abstract
Minimization of an approximate free energy functional yields the Andersen-Weeks-Chandler approximation y(r) ≡ g(r) exp [βφ(r)] ≈ yd(r) along with a new criterion for choosing the reference hard sphere diameter d. The new prescription yields thermodynamic consistency and improved numerical results.Keywords
This publication has 11 references indexed in Scilit:
- A local thermodynamic criterion for the reference-hypernetted chain equationPhysics Letters A, 1982
- Theory of simple classical fluids: Universality in the short-range structurePhysical Review A, 1979
- Direct correlation function: Hard sphere fluidThe Journal of Chemical Physics, 1975
- Perturbation Correction for the Free Energy and Structure of Simple FluidsPhysical Review A, 1973
- Perturbation theory for the thermodynamic properties of simple liquidsMolecular Physics, 1972
- Radial distribution functions for inverse-12 (‘soft sphere’) fluidsMolecular Physics, 1972
- Equilibrium Theory of Simple LiquidsPhysical Review A, 1972
- Relationship between the Hard-Sphere Fluid and Fluids with Realistic Repulsive ForcesPhysical Review A, 1971
- Phase Transition of the Lennard-Jones System. II. High-Temperature LimitPhysical Review A, 1970
- Soft-Sphere Equation of StateThe Journal of Chemical Physics, 1970