Charge transfer and bond relaxation in fullerene

The Jahn-Teller effect in C60 induces the bond distortion during an electron is transferred into a neutral C60 with the symmetry Ih. The static studies have proved that the negative ion C60- has a polaron bond structure with the symmetry D5d. This paper numerically simulates the dynamics of the charge transfer and the bond relaxation, which demonstrates the details of the evolution process with the time resolution in 4 femto seconds. The calculation shows that the relaxation times is about 0.4ps, which is consistent with the experiments.