Practices of the dynamic calculations

To avoid confusion about the computational procedures, we should describe the distinction between the common practices in full electron wavepacket dynamics [491] and the actual procedure we adopt in the present section 

To perform the following illustrative calculations, on the other hand, we first prepared the two adiabatic states as above in Eq. (6.99) and assumed the presence of a set of diabatic matrix elements through the rotation angle, Eq. (6.102), which automatically gives both h[P and X12. We thus can perform all the necessary procedures for nonadiabatic dynamics including the electronic state components C, C2 of Eq. (6.13) without necessity of referring to the explicit functional form of the electronic bases /(r R). 

In this section therefore we demonstrate only the nuclear branching paths and the full nuclear wavepackets. However once again we stress that the direct investigation of the electron wavepackets are indispensable in the full study of chemical reactions. 

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