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Calculations for taking average samples of loose materials

✍ Scribed by E. I. Smirnov


Publisher
Springer US
Year
1959
Tongue
English
Weight
304 KB
Volume
16
Category
Article
ISSN
0361-7610

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An algorithm for the uniform sampling of
✍ Arnaldo Rapallo πŸ“‚ Article πŸ“… 2006 πŸ› John Wiley and Sons 🌐 English βš– 543 KB

## 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