Mechanisms of Laser-Induced Reactions of Stacked Benzene Molecules: A Semiclassical Dynamics Simulation and CASSCF Calculation

Figure 5

The variations with time of (a) orbital energies and (b) time-dependent populations of the HOMO−1, HOMO, LUMO, and LUMO+1 of two benzene molecules in Case 1.

(a)

(b)