Nuclear wavepackets along quantum paths in nonadiabatic electron wavepacket dynamics

摘要

The path-branching theory as a nonadiabatic electron wavepacket theory (Yonehara et al., 2012), in which nonadiabatic electron wavepackets are propagated in time along branching nuclear paths, is extended so that Gaussian nuclear wavepackets are to be evolved in time along the variational quantum paths, which are determined consistently with the electron dynamics.