Abstract
This work examined electron quantum dynamics during a non-adiabatic process. The Ehrenfest method was combined with configuration interaction theory to investigate the excited state internal rotational motion of H2CNH2+ as a model reaction. The charge evolution indicated fast intramolecular electron transfer between carbon and nitrogen atoms. Also, rapid oscillation of the dipole moment after completion of the non-adiabatic transition was observed. Such time evolution of the charges is the characteristic of a non-adiabatic process.
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