J. Bruening et B. Friedman, PHOTOINDUCED CHARGE-TRANSFER IN CONDUCTING POLYMER C-60 COMPOSITES, The Journal of chemical physics, 106(23), 1997, pp. 9634-9638
We propose a simple model for photoinduced charge transfer in conducti
ng polymer C-60 composites. Our model consists of coupled Su-Schrieffe
r-Heeger models for a single polymer chain and a C-60 molecule. We hav
e included the coupling of the molecular vibrations to the pi electron
s but have neglected explicit electron-electron interaction, Using adi
abatic and nonadiabatic molecular dynamics, we find photoinduced elect
ron transfer takes place in 200-300 fs. This is consistent with an exp
erimental upper bound of 300 fs, Nonadiabatic effects tend to average
out pronounced oscillatory behavior in the adiabatic calculations. (C)
1997 American Institute of Physics.