A dynamic model for exciton self-trapping in conjugated polymers. II. Implementation

We examine the electronic and vibrational dynamics of a model conjugated po lymer using a particle-hole treatment for electronic excitation described i n Ref. 1. We observe the transition from a delocalized free exciton state t o a self-trapped exciton, and compare the characteristics of the process of localization to those predicted by existing theories. We find that the rea ction path to self-trapping involves a well-defined intermediate state, com plicating the process of cooling for the self-trapped exciton. We also find that high-energy excitons do not couple strongly to the lattice, and there fore do not self-trap. (C) 2000 American Institute of Physics. [S0021-9606( 00)70511-3].