Title: Ensemble corrections for the molecular-dynamics ensemble
Abstract: Expressions are derived which relate the averages of a dynamical variable in the molecular-dynamics ensemble and in the generalized canonical ensemble. Fluctuations in the two ensembles are also related. These results make the full equilibrium theory of classical statistical mechanics accessible to evaluation by molecular-dynamics computations.
Publication Year: 1983
Publication Date: 1983-04-01
Language: en
Type: article
Indexed In: ['crossref']
Access and Citation
Cited By Count: 29
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