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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). 
Jahr:
2005 
Jahr / Monat:
2005-01 
Quartal:
1. Quartal 
Monat:
Jan 
Seitenangaben Beitrag:
104 - 105 
Sprache:
en 
Verlag / Institution:
IEEE Xplore Digital Library 
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