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Basile F. E. Curchod, Prof. Dr. Ursula Rothlisberger and Dr. Ivano Tavernelli Trajectory-Based Nonadiabatic Dynamics with Time-Dependent Density Functional Theory ChemPhysChem 14

Version of Record online: 29 APR 2013 | DOI: 10.1002/cphc.201200941

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It's in the trajectory: This review presents a thorough description of selected trajectory-based nonadiabatic molecular dynamics schemes, which are combined with time-dependent density functional theory for “on-the-fly” calculation of all required electronic structure properties.

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