Regensburg 2007 – scientific programme

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TT: Fachverband Tiefe Temperaturen

TT 28: Transport - Poster Session

TT 28.49: Poster

Thursday, March 29, 2007, 14:00–17:45, Poster A

Charge Transfer along molecular chains: Quantum Monte Carlo simulations, rate equations and steady state currents — •Charlotte Escher¹, Lothar Mühlbacher², and Joachim Ankerhold¹ — ¹Physikalisches Institut, Albert-Ludwigs-Universität Freiburg — ²School of Chemistry, Tel Aviv University, Israel

Based on a path integral Monte Carlo approach we investigate the real-time dynamics of single and correlated charge transfer along molecular chains interacting with vibronic and/or solvent environments. We identify regions in parameter space, where sequential hopping influenced by tunneling of collective vibronic modes allows for an accurate rate description of the full dynamics. In case of correlated transfer symmetries in the charge-vibron coupling lead to invariant subspaces in which entangled states do not equilibrate. Results for isolated molecular chains are extended to calculate the voltage dependence of the steady state currents through molecular wires between two conducting leads.