An algorithm for the uniform sampling of iso-energy surfaces and for the calculation of microcanonical averages
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 averages). The devel...
| Veröffentlicht in: | Journal of computational chemistry. - 1984. - 27(2006), 4 vom: 20. März, Seite 414-25 |
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| 1. Verfasser: | |
| Format: | Aufsatz |
| Sprache: | English |
| Veröffentlicht: |
2006
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| Zugriff auf das übergeordnete Werk: | Journal of computational chemistry |
| Schlagworte: | Journal Article Hydrocarbons |