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
The pair distribution function of moderately dense quantum fluids
β Scribed by K. Baerwinkel; S. Grossmann
- Publisher
- Springer
- Year
- 1970
- Tongue
- English
- Weight
- 573 KB
- Volume
- 230
- Category
- Article
- ISSN
- 0939-7922
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π SIMILAR VOLUMES
## 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 problem of calculating quantum corrections to the radial distribution function (RDF) and the thermodynamic properties of a dense square-well fluid is studied. Numerical results are given for the first order correction to the RDF. It is found that the quantum effect increases with increase of den