Constraint Trajectory Surface-Hopping Molecular Dynamics Simulation of the Photoisomerization of Stilbene
Figure 4
A typical reactive trajectory for cis-to-trans isomerization starts from local cis-area with photo-excitation energy 4.42 eV. (a) Snapshots of potential energy surfaces and structures varying with time, (b) DD1 and DD2, and (c) D1 and D2 varying with time.
