Phys. Rev. A 40, 3817–3822 (1989)Direct entropy calculation from computer simulation of liquidsReceived 8 June 1989; published in the issue dated October 1989 We develop and test a direct method for computing two-particle excess entropies in the canonical ensemble. The method is based on a systematic expansion of the entropy into one-body, two-body, three-body, etc., contributions. Unlike earlier canonical ensemble methods the resulting expressions for the entropy are local. It is shown that, at liquid densities, the three-body (and higher) terms are small but not negligible. The largest discrepancies are found at intermediate densities. © 1989 The American Physical Society URL:
http://link.aps.org/doi/10.1103/PhysRevA.40.3817
DOI:
10.1103/PhysRevA.40.3817
PACS:
05.20.Gg, 61.20.Ja, 05.70.Ce
|
|
About | Terms and Conditions | Subscriptions | Search | Help
Use of the American Physical Society websites and journals implies that the user has read and agrees to our Terms and Conditions and any applicable Subscription Agreement. Physical Review®, Physical Review Letters®, Reviews of Modern Physics®, and Physical Review Special Topics® are trademarks of the American Physical Society.