Albrecht, Martin, 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 | ||||||
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| Date: | 2004 | ||||||
| Institutions: | Physics > Institute of Theroretical Physics > Alumni or Retired Professors > Group Gianaurelio Cuniberti | ||||||
| Projects: | Graduiertenkolleg Nichtlinearität und Nichtgleichgewicht, Volkswagen Stiftung: Molecular Computing | ||||||
| Identification Number: |
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| Dewey Decimal Classification: | 500 Science > 530 Physics | ||||||
| Status: | Published | ||||||
| Refereed: | Yes, this version has been refereed | ||||||
| Created at the University of Regensburg: | Yes | ||||||
| Item ID: | 1738 |
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