Derivation of a true (t → 0+) quantum transition-state theory. I. Uniqueness and equivalence to ring-polymer molecular dynamics transition-state-theory
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.4792697
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1. Accelerating Monte Carlo Sampling
2. Impenetrable Barriers in Phase-Space
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4. Quantum mechanical transition state theory and a new semiclassical model for reaction rate constants
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