Quantum-Classical Model
Model:6675431
Available identifiers
WikidataQ65091550 ScholiaQ65091550MaRDI QIDQ6675431
hybrid quantum-classical model for a system with fast and slow degrees of freedom
Used to describe the dynamics of a system comprising of light/fast and heavy/slow particles where the classical approximation can be only justified for the latter ones, as is usually the case in molecular dynamics. There, non-adiabatic transitions of the quantum subsystem (usually electrons) can be triggered by dynamics of the classical subsystem (usually nuclei) and vice versa. Note that the many different approaches to quantum-classical dynamics, most notably surface hopping trajectories simulations, differ in the way how the nonadiabatic transition probabilities are calculated.
List of mathematical expressions with quantities
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Mathematical models specializing Quantum-Classical Model
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Related URL
https://qcmd.info
https://en.wikipedia.org/wiki/Mixed_quantum-classical_dynamics
