Monte Carlo sampling for atomic and molecular clusters with fixed energy and angular momentum Journal Articles uri icon

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abstract

  • This paper presents a Monte Carlo method for sampling atomic and molecular cluster states according to the fixed energy and angular momentum ensemble, i.e., the EJ ensemble. Features of the methodology include the avoidance of numerical problems inherent in a straightforward implementation of Monte Carlo to EJ-ensemble averaging. In addition, qualitative characteristics of atomic momentum distribution within a cluster are extracted from exact analytic formulas, and illustrated numerically for argon clusters.

publication date

  • February 1, 1992