Go to content
UR Home

Many-body localized molecular orbital approach to molecular transport

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

PDF - Published Version
Download (2MB)

at publisher (via DOI)

at arXiv


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 ...


Export bibliographical data

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
Deposited on:12 Jul 2012 10:52
Last modified:15 Jul 2016 14:08
Item ID:24889
Owner only: item control page


Downloads per month over past year

  1. Homepage UR

University Library

Publication Server


Publishing: oa@ur.de

Dissertations: dissertationen@ur.de

Research data: daten@ur.de

Contact persons