Reference : Self-Consistent Quantum Master Equation Approach to Molecular Transport
Scientific journals : Article
Physical, chemical, mathematical & earth Sciences : Physics
http://hdl.handle.net/10993/11910
Self-Consistent Quantum Master Equation Approach to Molecular Transport
English
Esposito, Massimiliano mailto [Université Libre de Bruxelles - ULB > Center for Nonlinear Phenomena and Complex Systems]
Galperin, Michael [University of California at San Diego > Department of Chemistry & Biochemistry]
2010
Journal of Physical Chemistry C
114
48
Yes (verified by ORBilu)
International
1932-7447
[en] We propose a self-consistent generalized quantum master equation (GQME) to describe electron transport
through molecular junctions. In a previous study [Esposito, M.; Galperin, M. Phys. ReV. B 2009, 79, 205303],
we derived a time-nonlocal GQME to cure the lack of broadening effects in Redfield theory. To do so, the
free evolution used in the Born-Markov approximation to close the Redfield equation was replaced by a
standard Redfield evolution. In the present paper, we propose a backward Redfield evolution leading to a
time-local GQME which allows for a self-consistent procedure of the GQME generator. This approach is
approximate but properly reproduces the nonequilibrium steady-state density matrix and the currents of an
exactly solvable model. The approach is less accurate for higher moments such as the noise.
http://hdl.handle.net/10993/11910
10.1021/jp103369s
<Go to ISI>://WOS:000284738900007
Times Cited: 9
Journal Article

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