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Bridge function and cavity correlation function for the Lennard-Jones fluid from simulation

✍ Scribed by Llano-Restrepo, Mario; Chapman, Walter G.

Book ID: 111953394
Publisher: American Institute of Physics
Year: 1992
Tongue: English
Weight: 897 KB
Volume: 97
Category: Article
ISSN: 0021-9606
DOI: 10.1063/1.463142

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An example of a task very sensitive to the quality of input data obtained by molecular simulations is inverting the Ornstein-Zemike (OZ) relation in order to obtain the bridge function . This function appears in the successful perturbation theory for the structure of simple liquids, the reference HN