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Calculation of microcanonical entropy differences from configurational averages

✍ Scribed by Davis, Sergio

Book ID
111653614
Publisher
The American Physical Society
Year
2011
Tongue
English
Weight
260 KB
Volume
84
Category
Article
ISSN
1063-651X

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## Abstract In this article an algorithm is proposed to efficiently perform the uniform sampling of an iso‐energy surface corresponding to a fixed potential energy __U__ of a molecular system, and for calculating averages of certain quantities over microstates having this energy (microcanonical ave

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