Fig. 5. Quantum wave packet dynamics simulation.
a The potential energy surface of cation in the sphere. b Time dependence of the populations in the C2v and D2d geometries of cation. The results are obtained by initially putting the wave packet on the C3v geometry. I and II represent two distinct local maxima for the populations in the C2v geometry. c Snapshots of wave packet density ρ(t) of cation in the sphere starting from C3v geometry. c Top and bottom rows correspond to the front and back views of the sphere, respectively.