Go to content
UR Home

Many-body localized molecular orbital approach to molecular transport

URN to cite this document:
DOI to cite this document:
Ryndyk, Dmitry A. ; Donarini, Andrea ; Grifoni, Milena ; Richter, Klaus
PDF - Published Version
PDF - Submitted Version
arXiv PDF (20.10.2012)
Date of publication of this fulltext: 12 Jul 2012 10:52


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 ...


Owner only: item control page
  1. Homepage UR

University Library

Publication Server


Publishing: oa@ur.de
0941 943 -4239 or -69394

Dissertations: dissertationen@ur.de
0941 943 -3904

Research data: daten@ur.de
0941 943 -4239

Contact persons