Dynamics of Frenkel Excitons in Pentacene

Abstract

The dispersion relation for noninteracting excitons and the influence of perturbative corrections are examined in the case of pentacene structure. The values of exchange integrals are determined by nonlinear fits to the experimental dispersion data, obtained by the inelastic electron scattering reported in recent experiments. We obtain theoretical dispersion curves along four different directions in the Brillouin zone which possess the same periodicity as the experimental data. We also show that perturbative corrections are negligible since the exciton gap in the dispersion relation is huge in comparison to the exchange integrals.