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Pair distribution functions and scattering phenomena

✍ Scribed by L. Van Hove; K.W. McVoy

Publisher
Elsevier Science
Year
1962
Weight
442 KB
Volume
33
Category
Article
ISSN
0029-5582

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## 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