## Abstract We report a numerical technique that allows the quantum effects of zeroβpoint 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
The pair distribution function of a quantum fluid
β Scribed by M.H. Lee
- Publisher
- Elsevier Science
- Year
- 1969
- Weight
- 437 KB
- Volume
- 43
- Category
- Article
- ISSN
- 0031-8914
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π SIMILAR VOLUMES
The pair distribution function and equation of state of a hard-sphere fluid are calculated for seveIltl modifications of the Percus-Yevick (TY) theory by means of a perturbation calculation in which the zerothorder term is the PY result. Even in first order, this technique provides a very simple way
description of a raretied gas is presented using the method of pair functions. The conception of pair distribution functions 1s introduced and a heuristical derivation of the equations for pair functions is presented. Unlike the situation with the traditional Boltzmann equation, the hypothesis of mo