Constraint Trajectory Surface-Hopping Molecular Dynamics Simulation of the Photoisomerization of Stilbene
Figure 5
A typical reactive trajectory for trans-to-cis isomerization starts from local trans-area with photo-excitation energy 3.98 eV. (a) Snapshots of potential energy surfaces and structures varying with time, (b) DD1 and DD2, and (c) D1 and D2 varying with time.
