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Calculation of the entropy from multiparticle correlation functions
Author(s) -
Brian B. Laird,
A. D. J. Haymet
Publication year - 1992
Publication title -
physical review a
Language(s) - English
Resource type - Journals
eISSN - 1094-1622
pISSN - 1050-2947
DOI - 10.1103/physreva.45.5680
Subject(s) - physics , statistical physics , entropy (arrow of time) , spheres , quantum mechanics , astronomy
We consider three approximate expressions for the entropy of a single-particle fluid that require as input only the pair-correlation function g(r). By evaluating numerically these entropy estimates, for several model interparticle interactions of varying range, we examine the accuracy of these expressions compared to the ``exact'' entropy determined from computer simulation. With the exception of the one-component plasma at very low densities, the entropy of all systems studied can be approximated within 10% of the exact value for fluid densities up to 95% of the freezing density, with the agreement improving for the shorter-ranged potentials. For hard spheres, a preliminary extension to third-order terms is presented.

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