Thermodynamic integration from classical to quantum mechanics
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.3666011
Reference23 articles.
1. Path integral simulation of the free energy of (Lennard-Jones) neon
2. Molecular Dynamics Simulations
3. Quantum path integral extension of Widom’s test particle method for chemical potentials with application to isotope effects on hydrogen solubilities in model solids
4. On the direct calculation of the free energy of quantization for molecular systems in the condensed phase
5. Path integral calculation of free energies: Quantum effects on the melting temperature of neon
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