Quantum-Classical

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 …
Cite DOI
Quantum‐classical Path Integral Evaluation of Reaction Rates with a Near‐equilibrium Flux Formulation
All-Mode Quantum–Classical Path Integral Simulation of Bacteriochlorophyll Dimer Exciton-Vibration Dynamics
We use the quantum–classical path integral (QCPI) methodology to report numerically exact, fully quantum mechanical results for the …
Cite Project DOI
All-Mode Quantum–Classical Path Integral Simulation of Bacteriochlorophyll Dimer Exciton-Vibration Dynamics