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.
Relation between methods for nonadiabatic dynamics, highlighting the methods in the NA-MQC class.
Quantum-Classical Model
hybrid quantum-classical model for a system with fast and slow degrees of freedom
Hybrid Quantum-Classical Dynamics
Mixed Quantum-Classical Dynamics
Quantum-Classical Molecular Dynamics