Dynamics of quantum particles by path-integral centroid simulations: The symmetric Eckart barrier
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.474694
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1. Quantum-classical crossover of the transition rate in the damped double well
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2. Hybrid Quantum and Classical Methods for Computing Kinetic Isotope Effects of Chemical Reactions in Solutions and in Enzymes;Methods in Molecular Biology;2008
3. Quantum Rate Theory: A Path Integral Centroid Perspective;Handbook of Materials Modeling;2005
4. A relationship between centroid dynamics and path integral quantum transition state theory;The Journal of Chemical Physics;2000-05-22
5. Centroid path integral molecular-dynamics studies of a para-hydrogen slab containing a lithium impurity;The Journal of Chemical Physics;1998-07-08
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