Nonradiative relaxation processes in molecular crystals

Internal conversion is the dominant relaxation channel from higher lying excited states in molecular crystals and involves the transfer of energy from the electronic system to the lattice. In this work, we present results from simulations of the nonradiative relaxation process with an emphasis on both intraand interband transitions. We find the internal conversion process to be strongly nonadiabatic and the associated relaxation time in the case of large energy excitations to be limited by the transitions made between states of different bands. (C) 2008 Elsevier B.V. All rights reserved.