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Title: Nonequilibrium diagrammatic technique for Hubbard Green functions

Here, we introduce diagrammatic technique for Hubbard nonequilibrium Green functions. The formulation is an extension of equilibrium considerations for strongly correlated lattice models to description of current carrying molecular junctions. Within the technique intra-system interactions are taken into account exactly, while molecular coupling to contacts is used as a small parameter in perturbative expansion. We demonstrate the viability of the approach with numerical simulations for a generic junction model of quantum dot coupled to two electron reservoirs.
Authors:
ORCiD logo [1] ;  [2] ; ORCiD logo [2]
  1. Univ. of California, San Diego, CA (United States). Dept. of Physics
  2. Univ. of California, San Diego, CA (United States). Dept. of Chemistry and Biochemistry
Publication Date:
Grant/Contract Number:
SC0006422; CHE-1565939
Type:
Accepted Manuscript
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Volume: 146; Journal Issue: 9; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics (AIP)
Research Org:
Univ. of California, San Diego, CA (United States). Dept. of Chemistry and Biochemistry
Sponsoring Org:
USDOE Office of Science (SC); National Science Foundation (NSF)
Country of Publication:
United States
Language:
English
Subject:
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
OSTI Identifier:
1465108
Alternate Identifier(s):
OSTI ID: 1330732

Chen, Feng, Ochoa, Maicol A., and Galperin, Michael. Nonequilibrium diagrammatic technique for Hubbard Green functions. United States: N. p., Web. doi:10.1063/1.4965825.
Chen, Feng, Ochoa, Maicol A., & Galperin, Michael. Nonequilibrium diagrammatic technique for Hubbard Green functions. United States. doi:10.1063/1.4965825.
Chen, Feng, Ochoa, Maicol A., and Galperin, Michael. 2017. "Nonequilibrium diagrammatic technique for Hubbard Green functions". United States. doi:10.1063/1.4965825. https://www.osti.gov/servlets/purl/1465108.
@article{osti_1465108,
title = {Nonequilibrium diagrammatic technique for Hubbard Green functions},
author = {Chen, Feng and Ochoa, Maicol A. and Galperin, Michael},
abstractNote = {Here, we introduce diagrammatic technique for Hubbard nonequilibrium Green functions. The formulation is an extension of equilibrium considerations for strongly correlated lattice models to description of current carrying molecular junctions. Within the technique intra-system interactions are taken into account exactly, while molecular coupling to contacts is used as a small parameter in perturbative expansion. We demonstrate the viability of the approach with numerical simulations for a generic junction model of quantum dot coupled to two electron reservoirs.},
doi = {10.1063/1.4965825},
journal = {Journal of Chemical Physics},
number = 9,
volume = 146,
place = {United States},
year = {2017},
month = {3}
}

Works referenced in this record:

Density-functional method for nonequilibrium electron transport
journal, March 2002
  • Brandbyge, Mads; Mozos, Jos�-Luis; Ordej�n, Pablo
  • Physical Review B, Vol. 65, Issue 16, Article No. 165401
  • DOI: 10.1103/PhysRevB.65.165401