Quantum-Classical Model
type: Item
instance of: mathematical model
instance of: continuous-time model
instance of: continuous-space model
contains: Classical Dynamics Model
contains: Quantum Model (Closed System)
contains: Initial Classical Momentum
contains: Initial Classical Position
contains: Initial Quantum State
community: MathModDB
MaRDI profile type: MaRDI model profile
specialized by: Fewest Switches Surface Hopping 1
specialized by: Fewest Switches Surface Hopping 2
specialized by: Mean Field Ehrenfest
described by source: Recent Advances and Perspectives on Nonadiabatic Mixed Quantum–Classical Dynamics
described by source: Mixed quantum–classical dynamics
described by source: Nonadiabatic Molecular Dynamics Based on Trajectories
description: 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.
Wikidata QID: Q65091550
related URL: qcmd.info
related URL: Mixed quantum-classical dynamics
assumes: Quantum-Classical Mass Separation
description: hybrid quantum-classical model for a system with fast and slow degrees of freedom
alternative label: Hybrid Quantum-Classical Dynamics
alternative label: Mixed Quantum-Classical Dynamics
alternative label: Quantum-Classical Molecular Dynamics