User: Guest  Login
Document type:
Zeitschriftenaufsatz 
Author(s):
Pecchia, A.; Di Carlo, A.; Gagliardi, A.; Niehaus, T.A.; Frauenheim, T. 
Title:
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. 
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). 
Year:
2005 
Year / month:
2005-01 
Quarter:
1. Quartal 
Month:
Jan 
Pages contribution:
104 - 105 
Language:
en 
Publisher:
IEEE Xplore Digital Library 
Occurrences: