Regensburg 2010 – scientific programme

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TT: Fachverband Tiefe Temperaturen

TT 36: TR: Poster Session

TT 36.20: Poster

Thursday, March 25, 2010, 14:00–18:00, Poster A

Inter-System Crossing in a Dissipative Three-Spin System — •Sabine Tornow¹, Frithjof Anders², and Gertrud Zwicknagl¹ — ¹Institut fuer Mathematische Physik, TU Braunschweig, 38106 Braunschweig, Germany — ²Theoretische Physik II, TU Dortmund, 44221 Dortmund, Germany

We present an extended Hubbard model with dissipation (dissipative Hubbard model) for analyzing the spin and electron dynamics of a donor-acceptor system representing a chromophore coupled to a radical in a solvent. The latter is modeled by a bosonic bath. After photoexcitation, the initial local singlet state on the chromophore can perform a transition to a local triplet state (inter-system crossing) dependent on the coupling to the dissipative environment, Coulomb interactions, exchange interactions, on-site-energies and hopping parameters. We investigate the rate of local triplet formation and calculate the time-dependent population probabilities of all electronic states with the Time-Dependent Numerical Renormalization Group. The investigation of the role of different parameters can help to tailor appropriate molecules and solvents, to study fundamental questions about controlling molecular spin-systems.