title: Excited States of Dicyanovinyl-Substituted Oligothiophenes from Many-Body Green's Functions Theory.
abstract: Excited states of dicyanovinyl-substituted oligothiophenes are studied using many-body Green's functions theory within the GW approximation and the Bethe-Salpeter equation. By varying the number of oligomer repeat units, we investigate the effects of resonant-antiresonant transition coupling, dynamical screening, and molecular conformations on calculated excitations. We find that the full dynamically screened Bethe-Salpeter equation yields absorption and emission energies in good agreement with experimental data. The effect of resonant-antiresonant coupling on the first singlet π → π* excitation monotonically decreases with increasing size of the molecule, while dynamical screening effects uniformly lower the excitation energies.
authors.affiliation: Max Planck Institute for Polymer Research, Ackermannweg 10, 55128 Mainz, Germany.
authors.forename: Björn
authors.initials: B
authors.lastname: Baumeier
authors.affiliation: Max Planck Institute for Polymer Research, Ackermannweg 10, 55128 Mainz, Germany.
authors.forename: Denis
authors.initials: D
authors.lastname: Andrienko
authors.affiliation: Department of Physics, University of Osnabrück, Barbarastr. 12, 49069 Osnabrück, Germany.
authors.forename: Yuchen
authors.initials: Y
authors.lastname: Ma
authors.affiliation: Department of Physics, University of Osnabrück, Barbarastr. 12, 49069 Osnabrück, Germany.
authors.forename: Michael
authors.initials: M
authors.lastname: Rohlfing