Relaxation process of self-trapping exciton in C(sub 60)

摘要

When C(sub 60) is photoexcited, a self-trapping exciton (STE) is formed. The bond structure is distorted while the states A(sub 1u) and A(sub 2u) are pulled into the energy gap from HOMO and LUMO respectively. A dynamical scheme is employed to simulate the relaxation of STE. The evolutions of both bond structure and electronic states show that the relaxation time for STE is about 100 fs. It is noticed that this relaxation time is much shorter than that of the charge transfer in C(sub 60), and the origin for this big difference is discussed. (author). 13 refs, 4 figs. (Atomindex citation 27:024150)