RI-CC2 simulations of pyrazine internal conversion match the experimental 22 fs decay time, identify Q9a and Q8a modes as drivers, and show the dark A1u state participates actively.
Wang \ and\ author W
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physics.chem-ph 2years
2026 2verdicts
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A perspective article surveying Floquet nonadiabatic dynamics methods and their applications to electron transfer, quantum transport, carrier dynamics, and multicolor engineering in light-driven systems.
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Accessing the performance of CC2 for excited state dynamics: a benchmark study with pyrazine
RI-CC2 simulations of pyrazine internal conversion match the experimental 22 fs decay time, identify Q9a and Q8a modes as drivers, and show the dark A1u state participates actively.
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Floquet Nonadiabatic Dynamics for Light-Matter Interactions: Recent Advances and Emerging Opportunities
A perspective article surveying Floquet nonadiabatic dynamics methods and their applications to electron transfer, quantum transport, carrier dynamics, and multicolor engineering in light-driven systems.