Theory of radiationless transitions in a crystalline host material

Consistent calculations of the rate constant of radiationless electron transition are reported for a diatomic molecule in a crystal at zero temperature. The transition between electronic states occurs due to nonadiabaticity. Relaxation of the vibrational energy is stimulated by the interaction of the molecule with the crystal. The calculations have been carried out under the assumption that perturbation theory with respect to the nonadiabaticity operator is applicable. The vibrational interaction of the molecule with the environment is assumed not to be small. The electronic terms of the molecule are approximated by Morse potentials.