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Calculation of the vavilov distribution: A correction

✍ Scribed by James H. Adams Jr.; R. Silberberg; G.D. Badhwar


Publisher
Elsevier Science
Year
1975
Weight
267 KB
Volume
124
Category
Article
ISSN
0029-554X

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Quantum correction to the pair distribut
✍ 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