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Analysis of the Geometrical Evolution in On-the-Fly Surface-Hopping Nonadiabatic Dynamics with Machi
On-the-fly trajectory-based nonadiabatic dynamics simulation becomes an important approach to study ultrafast photochemi......
On-the-fly Surface-Hopping Nonadiabatic Dynamics and Analysis of Geometrical Evolution with Dimensio
Our works focus on the theoretical description of nonadiabatic dynamics on molecular excited states.One important to......
