Details

Autor(en) / Beteiligte

• Erpenbeck, A.
• Hertlein, C.
• Schinabeck, C.
• Thoss, M.

Titel

Extending the hierarchical quantum master equation approach to low temperatures and realistic band structures

Ist Teil von

• The Journal of chemical physics, 2018-08, Vol.149 (6), p.064106-064106

Ort / Verlag

United States: American Institute of Physics

Erscheinungsjahr

2018

Quelle

AIP Journals

Beschreibungen/Notizen

• The hierarchical quantum master equation (HQME) approach is an accurate method to describe quantum transport in interacting nanosystems. It generalizes perturbative master equation approaches by including higher-order contributions as well as non-Markovian memory and allows for the systematic convergence to the numerically exact result. As the HQME method relies on a decomposition of the bath correlation function in terms of exponentials, however, its application to systems at low temperatures coupled to baths with complexer band structures has been a challenge. In this publication, we outline an extension of the HQME approach, which uses re-summation over poles and can be applied to calculate transient currents at a numerical cost that is independent of temperature and band structure of the baths. We demonstrate the performance of the extended HQME approach for noninteracting tight-binding model systems of increasing complexity as well as for the spinless Anderson-Holstein model.