A path integral Monte Carlo study of liquid neon and the quantum effective pair potential
- 15 September 1984
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 81 (6) , 2523-2527
- https://doi.org/10.1063/1.447985
Abstract
The path integral Monte Carlo (PIMC) method is used to simulate liquid neon at T=40 K. It is shown that quantum effects are not negligible and that when the quantum effective pair potential is used in a classical molecular dynamics simulation the results obtained for the radial distribution function agrees with that predicted by a full path integral Monte Carlo simulation. The validity of this procedure is further shown by comparing the results obtained by this method to experimental measurements of liquid neon at T=35 K.Keywords
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