Rate Theory

Quantum‐classical Path Integral Evaluation of Reaction Rates with a Near‐equilibrium Flux Formulation
Quantum-classical formulations of reactive flux correlation functions require the partial Weyl-Wigner transform of the thermalized flux …
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Quantum‐classical Path Integral Evaluation of Reaction Rates with a Near‐equilibrium Flux Formulation
Non-equilibrium reactive flux: A unified framework for slow and fast reaction kinetics
The flux formulation of reaction rate theory is recast in terms of the expectation value of the reactive flux with an initial condition …
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