Bond distortion and electron trapping in charged C60

By considering both electron - electron and electron - lattice interactions, the effect of charge transfer on the bond structure and electronic states of doped C60 is studied without configuration limitation. The results show that the electron interaction does not eliminate the layer structure of the bond distortion and the self-trapping of transferred electrons. There still exist two localized electronic states, which possess laminar wave functions, and four nonequivalent groups of carbon atoms, which induce a fine-structure in the NMR spectrum line. (author). 12 refs, 5 figs, 1 tab