Research Article
Constraint Trajectory Surface-Hopping Molecular Dynamics Simulation of the Photoisomerization of Stilbene
Table 2
Branching ratios (numbers in parentheses are calculated from Landau-Zener formula) for cis-to-trans and trans-to-cis isomerizations at one-bond flip conical intersection (OBF-CI).
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aTotal energy of each classical trajectory is set up to the vertical excitation energy 4.45 eV at cis-area and 4.11 eV at trans-area. bReferences [59, 61]. |