A phase space sampling approach to equilibrium semiclassical statistical mechanics
- 15 December 1977
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 67 (12) , 5894-5903
- https://doi.org/10.1063/1.434796
Abstract
A nonperturbative semiclassical approach to statistical mechanics is reviewed and discussed in terms of the idea of phase space sampling. The approach is then used to treat quantum effects in the vibrational state distribution of HCl and in the two particle radial distribution function for He4 as well as in the case of a sample discontinuous potential. Although further work is indicated for hard wall potentials, the method does seem to provide a facile technique for approximating quantum corrections in situations of chemical interest.Keywords
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