mixed quantum-classical dynamics (Q6675431)
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hybrid quantum-classical model for a system with fast and slow degrees of freedom
- Hybrid Quantum-Classical Dynamics
- Quantum-Classical Molecular Dynamics
| Language | Label | Description | Also known as |
|---|---|---|---|
| default for all languages | No label defined |
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| English | mixed quantum-classical dynamics |
hybrid quantum-classical model for a system with fast and slow degrees of freedom |
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Na-mqc-scheme.jpg
1,187 × 785; 136 KB
1,187 × 785; 136 KB
Relation between methods for nonadiabatic dynamics, highlighting the methods in the NA-MQC class. (English)
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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.
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