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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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Other URL: http://dx.doi.org/10.1002/pssb.200404780

Abstract

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
Date:2004
Institutions:Physics > Institute of Theroretical Physics > Retired Professors > Group Gianaurelio Cuniberti
Projects:Graduiertenkolleg Nichtlinearität und Nichtgleichgewicht, Volkswagen Stiftung: Molecular Computing
Identification Number:
ValueType
10.1002/pssb.200404780DOI
cond-mat/0511140arXiv ID
Subjects:500 Science > 530 Physics
Status:Published
Refereed:Yes, this version has been refereed
Created at the University of Regensburg:Yes
Deposited On:20 Mar 2007
Item ID:1738
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