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From a local Green function to molecular charge transport

Albrecht, Martin and Schnurpfeil, Alexander and Cuniberti, Gianaurelio (2004) From a local Green function to molecular charge transport. Physica Status Solidi (B) 241 (9), pp. 2179-2188.

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A local-orbital based {\it ab initio} approach to obtain the Green function for large heterogeneous systems is developed. First a Green function formalism is introduced based on exact diagonalization. Then the self energy is constructed from an incremental scheme, rendering the procedure feasible, while at the same time physical insight into different local correlation contributions is obtained. ...


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Item Type:Article
Institutions:Physics > Institute of Theroretical Physics > Retired Professors > Group Gianaurelio Cuniberti
Projects:Graduiertenkolleg Nichtlinearität und Nichtgleichgewicht, Volkswagen Stiftung: Molecular Computing
Identification Number:
cond-mat/0511140arXiv ID
Subjects:500 Science > 530 Physics
Refereed:Yes, this version has been refereed
Created at the University of Regensburg:Yes
Owner: Redakteur Physik
Deposited On:20 Mar 2007
Last Modified:13 Mar 2014 10:02
Item ID:1738
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