SELF-TRAPPING PROCESS OF EXCITON IN C-60

A dynamical scheme is employed to simulate the self-trapping of the ex citon in C-60. During the self-trapping process, due to the bond disto rtion, two gap states Al-1u and A(2u) are separated from the highest o ccupied molecular orbital and the lowest unoccupied molecular orbital respectively From the evolutions of the bond distortion and these two levels the relaxation time of the self-trapping exciton is about 90 fs . It is noticed that the relaxation of the exciton is much quicker tha n that of the charge transfer in C-60.