Nonadditivity Correction to the Radial Distribution Function
| Autor: | R. D. Present, Chimin Tang Chen |
|---|---|
| Rok vydání: | 1970 |
| Předmět: |
Physics
Superposition principle Equation of state Correlation function (statistical mechanics) Quantum mechanics General Physics and Astronomy Limit (mathematics) Extension (predicate logic) Statistical physics Physical and Theoretical Chemistry Radial distribution function Pair potential Square (algebra) |
| Zdroj: | The Journal of Chemical Physics. 53:1585-1590 |
| ISSN: | 1089-7690 0021-9606 |
| DOI: | 10.1063/1.1674216 |
| Popis: | Two derivations of the three‐body nonadditivity correction to the radial distribution function of a fluid are given. The first employs only the properties of n‐particle correlation functions, and the second is based on statistical mechanical formulas relating to the equation of state. We obtain a new formula for the effective pair potential in the low‐density limit, valid through terms in the square of the density, assuming only that the nonadditive three‐body interaction is small. An extension of this formula to higher densities is obtained by replacing the exact triplet correlation function for low densities by the superposition approximation. Our results provide no grounds for supposing that the effective pair potential is linear in the density for either gases or liquids. |
| Databáze: | OpenAIRE |
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