Universality of bridge functions and its relation to variational perturbation theory and additivity of equations of state
- 1 May 1984
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review A
- Vol. 29 (5) , 2877-2887
- https://doi.org/10.1103/physreva.29.2877
Abstract
Featuring the modified hypernetted-chain (MHNC) scheme as a variational fitting procedure, we demonstrate that the accuracy of the variational perturbation theory (VPT) and of the method based on additivity of equations of state is determined by the excess entropy dependence of the bridge-function parameters [i.e., when the Percus-Yevick hard-sphere bridge functions are employed]. It is found that is nearly universal for all soft (i.e., "physical") potentials while it is distinctly different for the hard spheres, providing a graphical display of the "jump" in pair-potential space (with respect to accuracy of VPT) from "hard" to "soft" behavior. The universality of provides a local criterion for the MHNC scheme that should be useful for inverting structure-factor data in order to obtain the potential. An alternative local MHNC criterion due to Lado is rederived and extended, and it is also analyzed in light of the plot of .
Keywords
This publication has 19 references indexed in Scilit:
- New method for equation-of-state calculations: Linear combinations of basis potentialsPhysical Review A, 1982
- On equation of state calculations from experimental zero-temperature isothermsThe Journal of Chemical Physics, 1980
- Equations of state for liquids from the zero-temperature isotherm: Quantum corrections for hydrogenThe Journal of Chemical Physics, 1980
- Perturbation theory and the thermodynamic properties of fluids. II. The CRIS modelThe Journal of Chemical Physics, 1980
- Perturbation theory and the thermodynamic properties of fluids. III. Inverse-power and 6–12 potentialsThe Journal of Chemical Physics, 1980
- Perturbation theory and the thermodynamic properties of fluids. I. General theoryThe Journal of Chemical Physics, 1980
- THE THEORY OF SIMPLE CLASSICAL FLUIDS : UNIVERSALITY IN THE SHORT RANGE STRUCTURELe Journal de Physique Colloques, 1980
- Theory of simple classical fluids: Universality in the short-range structurePhysical Review A, 1979
- A high-density fluid-perturbation theory based on an inverse 12th-power hard-sphere reference systemThe Journal of Chemical Physics, 1979
- New method for the calculation of the pair correlation function. IPhysica, 1959