Prediction Through Quantum Dynamics Simulations: Photo-excited Cyclobutanone
- Olivia Bennett, Antonia Freibert, K. Eryn Spinlove and Graham A. Worth
- Prediction challenge , Publication
Quantum dynamics simulations are becoming a standard tool for simulating photo-excited molecular systems involving a manifold of coupled states, known as non-adiabatic dynamics. While these simulations have had many successes in explaining experiments and giving details of non-adiabatic transitions, the question remains as to their predictive power…
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