Quantum path integral extension of Widom’s test particle method for chemical potentials with application to isotope effects on hydrogen solubilities in model solids
- 1 May 1992
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 96 (9) , 7175-7177
- https://doi.org/10.1063/1.462529
Abstract
No abstract availableKeywords
This publication has 14 references indexed in Scilit:
- Determination of the chemical potentials of polymeric systems from Monte Carlo simulationsPhysical Review Letters, 1991
- Capture of neon atoms byclustersPhysical Review Letters, 1990
- Equilibrium and Dynamical Fourier Path Integral MethodsPublished by Wiley ,1990
- Molecular dynamics of a dilute solution of hydrogen in palladiumPhysical Review B, 1989
- Quantum simulation of hydrogen in metalsPhysical Review Letters, 1987
- A Monte Carlo method for determining free-energy differences and transition state theory rate constantsThe Journal of Chemical Physics, 1985
- Atomic and molecular hydrogen isotopes in liquid heliumPhysical Review B, 1985
- Ultimate fate of a gas of atomic hydrogen in a liquid-helium chamber: Recombination and burialPhysical Review B, 1984
- Convenient and accurate discretized path integral methods for equilibrium quantum mechanical calculationsThe Journal of Chemical Physics, 1981
- Some Topics in the Theory of FluidsThe Journal of Chemical Physics, 1963