Nuclear quantum dynamics beyond the Born-Oppenheimer approximation is performed using quantum trajectories. Within the adiabatic representation of the electronic states, NABDY (NonAdiabatic Bohmian DYnamics) is used in combination with DFT and LR-TDDFT to perform on-the-fly nonadiabatic quantum dynamics. Simple numerical test systems and current limitations of the method are discussed. © Schweizerische Chemische Gesellschaft.
CITATION STYLE
Curchod, B. F. E., Rothlisberger, U., & Tavernelli, I. (2012). Excited state dynamics with quantum trajectories. In Chimia (Vol. 66, pp. 174–177). Swiss Chemical Society. https://doi.org/10.2533/chimia.2012.174
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