Dresden 2014 – wissenschaftliches Programm
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TT: Fachverband Tiefe Temperaturen
TT 101: Transport - Poster Session
TT 101.19: Poster
Donnerstag, 3. April 2014, 15:00–19:00, P2
Hierarchical Quantum Master Equation Approach to Vibrationally Coupled Electron Transport in Single-Molecule Junctions — •Christian Schinabeck1, Rainer Härtle2, and Michael Thoss1 — 1Institut für Theoretische Physik, Friedrich-Alexander-Universität Erlangen-Nürnberg, Staudtstr. 7/B2, D-91058 Erlangen, Germany — 2Institut für Theoretische Physik, Georg-August-Universität Göttingen, Friedrich-Hund-Platz 1, D-37077 Göttingen, Germany
In this contribution we investigate vibrationally coupled transport in single-molecule junctions using the hierarchical quantum master equation approach [1,2]. This method allows a systematic convergence of the reduced dynamics of open quantum systems beyond the traditional Markovian rate equations. We consider a model consisting of a molecular level coupled to fermionic leads as well as a vibrational mode. For this system the numerically accurate results of the hierarchical quantum master equation approach are compared with Markovian rate equation calculations in different parameter regimes. The performance of the method with respect to numerical efficiency and convergence is analyzed in detail.
[1] Y. Tanimura et al., J. Phys. Soc. Jpn. 75, 082001 (2006).
[2] J. Jin et al., J. Chem. Phys. 128, 234703 (2008).