Quantum coherent dynamics of molecules: A simple scenario for ultrafast photoisomerization

Abstract

We analyze the coherent dynamics of optically excited alkenes in a fully correlated 3d tight-binding model with extended Hubbard interactions. The scenario that emerges is that the steric repulsive interactions are the driving force behind ultrafast cis-trans photoisomerizations. This resolves the apparent discrepancy between values for the torsional… (More)

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@inproceedings{Aalberts2000QuantumCD, title={Quantum coherent dynamics of molecules: A simple scenario for ultrafast photoisomerization}, author={Daniel P. Aalberts and M. S. L. du Croo de Jongh and Brian F. Gerke and Wim van Saarloos}, year={2000} }