| 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  [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, Nanomaterials and interfaces | |
| 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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