Understanding the Surface Hopping View of Electronic Transitions and Decoherence¶
Subotnik. (2016). Understanding the Surface Hopping View of Electronic Transitions and Decoherence. Annual Review of Physical Chemistry.
Cited by¶
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Domain-specific¶
- Mixed Quantum–Classical Dynamics
- It is also not guaranteed accurate by its label: decoherence, frustrated hops, representation dependence, electronic-structure errors, inadequate sampling, and missing nuclear quantum effects can materially change results
This sourceFor the failure modes that are this review's own subject — decoherence, basis and representation dependence, and the algorithm's known failures including detailed balance; the electronic-structure, sampling and nuclear-quantum-effect clauses are generic simulation caveats it does not itself establish.
- It is also not guaranteed accurate by its label: decoherence, frustrated hops, representation dependence, electronic-structure errors, inadequate sampling, and missing nuclear quantum effects can materially change results
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