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Dokumenttyp:
Zeitschriftenaufsatz
Autor(en):
Pecchia, A.; Di Carlo, A.; Gagliardi, A.; Niehaus, T.A.; Frauenheim, T.
Titel:
Atomistic Simulation of Electronic Transport in Organic Nanostructures: Electron-Phonon and Electron-Electron Interactions
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.
Kongresstitel:
Computational Electronics, 2004. IWCE-10 2004. Abstracts. 10th International Workshop on
Kongress / Zusatzinformationen:
West Lafayette IN USA, Oct 24 - 27, 2004
Zeitschriftentitel:
Journal of Computational Electronics, 4, 79 2005-01
Jahr:
2005
Jahr / Monat:
2005-01
Quartal:
1. Quartal
Monat:
Jan
Seitenangaben Beitrag:
104 - 105
Sprache:
en
Volltext / DOI:
doi:10.1109/IWCE.2004.1407346
WWW:
http://ieeexplore.ieee.org/xpl/articleDetails.jsp?arnumber=1407346
Verlag / Institution:
IEEE Xplore Digital Library
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