Quantum mechanical single molecule partition function from path integral Monte Carlo simulations
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.2196885
Reference26 articles.
1. Calculation of Molecular Configuration Integrals
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3. Quantitative molecular thermochemistry based on path integrals
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5. A ‘path-by-path’ monotone extrapolation sequence for Feynman path integral calculations of quantum mechanical free energies
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