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Related publications (7)
Please note that this is not a complete list of this person’s publications. It includes only semantically relevant works. For a full list, please refer to Infoscience.
Mixed quantum-classical methods, such as surface hopping and Ehrenfest dynamics, have proven useful for describing molecular processes involving multiple electronic states. These methods require propagating many independent trajectories, which is computati ...
Computational simulations of quantum molecular dynamics are indispensable for understanding and predicting phenomena in physical chemistry. This thesis explores molecular processes where multiple electronic states play a role. A significant part of this wo ...
Coherent superposition of electronic states, created by ionizing a molecule, can initiate ultrafast dynamics of the electron density. Correlation between nuclear and electron motions, however, typically dissipates the electronic coherence in only a few fem ...
