Self-consistent approximations for molecular distribution functions
- 1 January 1965
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 9 (3) , 217-227
- https://doi.org/10.1080/00268976500100291
Abstract
The molecular distribution functions of a classical fluid are related to the pressure both by the virial equation of the canonical ensemble and by the equation for the compressibility of the grand canonical ensemble. In general, the two values of the pressure do not agree if approximations to the functions are used. It is shown that a direct correlation function can be devised which removes this discrepancy, and that its removal leads to a significant improvement in the equation of state for hard spheres over those of the Percus-Yevick and hyper-netted chain approximations. Two other inconsistencies are discussed more briefly but are not used constructively.Keywords
This publication has 16 references indexed in Scilit:
- The equation of state of dense systemsReports on Progress in Physics, 1965
- A generalized hyper-netted chain approximationPhysics Letters, 1965
- Virial Coefficients and the Classical Theory of Fluids for the Square-Well PotentialThe Journal of Chemical Physics, 1964
- The virial expansion in two dimensionsMolecular Physics, 1964
- On the hyper-chain equation of state of a hard-sphere gasPhysica, 1963
- Studies in Molecular Dynamics. II. Behavior of a Small Number of Elastic SpheresThe Journal of Chemical Physics, 1960
- Fourth Virial Coefficient for the Square Well PotentialPhysical Review B, 1959
- New method for the calculation of the pair correlation function. IPhysica, 1959
- Analysis of Classical Statistical Mechanics by Means of Collective CoordinatesPhysical Review B, 1958
- On the theory of fluidsProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1953