Numerically exact, time-dependent study of correlated electron transport in model molecular junctions

Wang H, Thoss M (2013)

Publication Type: Journal article

Publication year: 2013

Journal

Journal of Chemical Physics AIP Publishing

Publisher: American Institute of Physics (AIP)

Book Volume: 138

Pages Range: 134704

Journal Issue: 13

URI: http://jcp.aip.org/resource/1/jcpsa6/v138/i13/p134704_s1

DOI: 10.1063/1.4798404

Abstract

The multilayer multiconfiguration time-dependent Hartree theory within second quantization representation of the Fock space is applied to study correlated electron transport in models of single-molecule junctions. Extending previous work, we consider models which include both electron-electron and electronic-vibrational interaction. The results show the influence of the interactions on the transient and the stationary electrical current. The underlying physical mechanisms are analyzed in conjunction with the nonequilibrium electronic population of the molecular bridge. © 2013 American Institute of Physics.

Authors with CRIS profile

Michael Thoss Professur für Theoretische Physik mit dem Schwerpunkt Molekulare Materialien

Additional Organisation(s)

Exzellenz-Cluster Engineering of Advanced Materials (EAM)

Involved external institutions

Beijing Computational Science Research Center CN China (CN)

How to cite

APA:

Wang, H., & Thoss, M. (2013). Numerically exact, time-dependent study of correlated electron transport in model molecular junctions. Journal of Chemical Physics, 138(13), 134704. https://doi.org/10.1063/1.4798404

MLA:

Wang, Haobin, and Michael Thoss. "Numerically exact, time-dependent study of correlated electron transport in model molecular junctions." Journal of Chemical Physics 138.13 (2013): 134704.

BibTeX: Download