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The Pair Distribution Function in the R.P.A. and in the Hubbard Approximation

✍ Scribed by F. Brouers

Publisher
John Wiley and Sons
Year
1967
Tongue
English
Weight
282 KB
Volume
19
Category
Article
ISSN
0370-1972

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πŸ“œ SIMILAR VOLUMES

Symbolic computation of the pair-distrib
Symbolic computation of the pair-distribution function for hard-sphere systems in the whole r-range
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We present an algorithm for the symbolic computation of the pair-distribution function g(r) for arbitrary r-values of a one-component hard-sphere (HS) system within the Percus-Yevick approximation and of a hard-sphere Yukawa system within the mean-spherical approximation (MSA). The algorithm itself

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✍ V. A. Levashov; S. J. L. Billinge; M. F. Thorpe πŸ“‚ Article πŸ“… 2007 πŸ› John Wiley and Sons 🌐 English βš– 995 KB

## Abstract We report a numerical technique that allows the quantum effects of zero‐point motion to be incorporated into Pair Distribution Functions calculated classically for molecules using Monte Carlo or Molecular Dynamics simulations. We establish the basis for this approximation using a diatom