Volume 121, Number 6, March 2018
|Number of page(s)||6|
|Section||Condensed Matter: Electronic Structure, Electrical, Magnetic and Optical Properties|
|Published online||18 May 2018|
Generalized master equation for a molecular bridge improved by vertex correction to the Generalized Kadanoff-Baym Ansatz
1 Institute of Physics AS CR - 182 21 Praha 8, Czech Republic
2 Department of Condensed Matter Physics, Charles University - 121 16 Praha 2, Czech Republic
Received: 21 November 2017
Accepted: 15 April 2018
The equations for the Non-Equilibrium Green's Functions (NEGF) describing the electron transport through molecular bridges are commonly reduced to a Generalized Master Equation (GME) for the one-electron density matrix using the Generalized Kadanoff-Baym Ansatz (GKBA). This works for weak tunneling and flat tunneling functions combined. For a structure, whose tunneling functions have a complex sd spectral structure, and are moderately strong, we derive an improved GME using a novel “corrected GKBA” incorporating a stationary approximation to the vertex part of the exact reconstruction equations whose free term is the standard GKBA. Numerical tests are successful.
PACS: 73.23.-b – Electronic transport in mesoscopic systems / 72.10.Bg – General formulation of transport theory / 05.30.-d – Quantum statistical mechanics
© EPLA, 2018
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