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Title:

Atomistic Simulation of Electronic Transport in Organic Nanostructures: Electron-Phonon and Electron-Electron Interactions

Document type:
Zeitschriftenaufsatz
Author(s):
Pecchia, A.; Di Carlo, A.; Gagliardi, A.; Niehaus, T.A.; Frauenheim, T.
Abstract:
This paper show a novel implementation of the GW correction applied to DFTB method and show its applications to molecular systems sandwiched in-between electrodes to obtain a first-principle correction of the electron-electron interaction energy. The resulting self-energy is used to correct the system GF and to obtain a correction of the tunneling current, behind DFT.
Congress title:
Computational Electronics, 2004. IWCE-10 2004. Abstracts. 10th International Workshop on
Congress / additional information:
West Lafayette IN USA, Oct 24 - 27, 2004
Journal title:
Journal of Computational Electronics, 4, 79 2005-01
Year:
2005
Year / month:
2005-01
Quarter:
1. Quartal
Month:
Jan
Pages contribution:
104 - 105
Language:
en
Fulltext / DOI:
doi:10.1109/IWCE.2004.1407346
WWW:
http://ieeexplore.ieee.org/xpl/articleDetails.jsp?arnumber=1407346
Publisher:
IEEE Xplore Digital Library
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