Critical appraisal of the fewest switches algorithm for surface hopping¶
Granucci, & Persico. (2007). Critical appraisal of the fewest switches algorithm for surface hopping. The Journal of Chemical Physics.
Cited by¶
1 citation across 1 artifact.
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Domain-specific¶
- Mixed Quantum–Classical Dynamics
- If electronic coherence persists longer in the equations than environmental or nuclear separation warrants, uncorrected surface hopping can produce overcoherence
This sourceTraces the internal inconsistency of fewest-switches surface hopping to coherent propagation of the electronic wavefunction, and shows that a decoherence correction restores agreement with quantum wave-packet calculations.
- If electronic coherence persists longer in the equations than environmental or nuclear separation warrants, uncorrected surface hopping can produce overcoherence
Verification¶
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Registry ID ref:79a81407071d · see in the full table