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Many-body localized molecular orbital approach to molecular transport

Ryndyk, Dmitry A., Donarini, Andrea, Grifoni, Milena and Richter, Klaus (2013) Many-body localized molecular orbital approach to molecular transport. Physical Review B (PRB) 88 (8), 085404.

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Date of publication of this fulltext: 12 Jul 2012 10:52

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An ab initio based theoretical approach to describe nonequilibrium many-body effects in molecular transport is developed. We introduce a basis of localized molecular orbitals and formulate the many-body model in this basis. In particular, the Hubbard-Anderson Hamiltonian is derived for single-molecule junctions with intermediate coupling to the leads. As an example we consider a benzenedithiol ...


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Item type:Article
Date:5 August 2013
Institutions:Physics > Institute of Theroretical Physics > Chair Professor Grifoni > Group Milena Grifoni
Physics > Institute of Theroretical Physics > Chair Professor Richter > Group Klaus Richter
Projects:SPP 1243: Quantum transport at the molecular scale, SFB 689: Spinphänomene in reduzierten Dimensionen, EXC 1056: Center for Advancing Electronics Dresden (cfAED)
Identification Number:
1210.5615arXiv ID
73 . 63 . − bPACS
85 . 65 . + hPACS
Dewey Decimal Classification:500 Science > 530 Physics
Refereed:No, this version has not been refereed yet (as with preprints)
Created at the University of Regensburg:Yes
Item ID:24889
Owner only: item control page


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