By taking the three-dimensional reaction system, the trajectory surface hopping method based on the Zhu–Nakamura theory is demonstrated to work much better than the old one and to be very promising to treat high-dimensional electronically nonadiabatic processes. The difference between the new and old survives even at high initial vibrational states and high energies.
Significant improvement of the trajectory surface hopping method by the Zhu–Nakamura theory
Chaoyuan Zhu, Hideyuki Kamisaka, Hiroki Nakamura; Significant improvement of the trajectory surface hopping method by the Zhu–Nakamura theory. J. Chem. Phys. 22 December 2001; 115 (24): 11036–11039. https://doi.org/10.1063/1.1421070
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