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Document type:
Zeitschriftenaufsatz 
Author(s):
Gagliardi, A.; Niehaus, T.A.; Frauenheim, T.; Pecchia, A.; Di Carlo, A. 
Title:
Quasiparticle Correction for Electronic Transport in Molecular Wires 
Abstract:
In this paper we present calculations of ballistic transport in molecular wires. The calculations are performed using an approximated version of the GW correction in the plasmon-pole framework, which is used to improve the starting Density Functional Theory energy spectrum of the molecule between metallic leads. We show that this correction reduces the error of the correlation part for the electron energy. Finally a model with complex bands is implemented in order to get the damping regime for l...    »
 
Journal title:
Journal of Computational Electronics September 2007, Volume 6, Issue 1-3, pp 345-348 
Year:
2007 
Year / month:
2007-09 
Quarter:
3. Quartal 
Month:
Sep 
Pages contribution:
345 - 348 
Language:
en 
Publisher:
Springer Vieweg 
Occurrences: