Three Atom Correlations in the Lennard-Jones Fluid
- 1 December 1972
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 57 (11), 4999-5006
- https://doi.org/10.1063/1.1678170
Abstract
The Monte Carlo method has been used to compute the triplet correlation function in a classical fluid with Lennard‐Jones interactions. The computations were performed for particular configurations at five thermodynamic states of high density. The structure of the triplet function is discussed in the liquid and dense gas regions. Several closure approximations, which express the triplet function in terms of the pair correlation function, are compared to the Monte Carlo results.Keywords
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