{
  "id": "1102.1880",
  "version": "v1",
  "published": "2011-02-09T15:22:21.000Z",
  "updated": "2011-02-09T15:22:21.000Z",
  "title": "Transport properties of molecular junctions from many-body perturbation theory",
  "authors": [
    "T. Rangel",
    "A. Ferretti",
    "P. E. Trevisanutto",
    "V. Olevano",
    "G. -M. Rignanese"
  ],
  "categories": [
    "cond-mat.mes-hall",
    "cond-mat.mtrl-sci"
  ],
  "abstract": "The conductance of single molecule junctions is calculated using a Landauer approach combined to many-body perturbation theory MBPT) to account for electron correlation. The mere correction of the density-functional theory eigenvalues, which is the standard procedure for quasiparticle calculations within MBPT, is found not to affect noticeably the zero-bias conductance. To reduce it and so improve the agreement with the experiments, the wavefunctions also need to be updated by including the non-diagonal elements of the self-energy operator.",
  "revisions": [
    {
      "version": "v1",
      "updated": "2011-02-09T15:22:21.000Z"
    }
  ],
  "analyses": {
    "subjects": [
      "85.65.+h",
      "71.10.-w",
      "72.10.-d",
      "73.40.-c"
    ],
    "keywords": [
      "molecular junctions",
      "transport properties",
      "many-body perturbation theory mbpt",
      "single molecule junctions",
      "density-functional theory eigenvalues"
    ],
    "tags": [
      "journal article"
    ],
    "publication": {
      "doi": "10.1103/PhysRevB.84.045426",
      "journal": "Physical Review B",
      "year": 2011,
      "month": "Jul",
      "volume": 84,
      "number": 4,
      "pages": "045426"
    },
    "note": {
      "typesetting": "TeX",
      "pages": 0,
      "language": "en",
      "license": "arXiv",
      "status": "editable",
      "adsabs": "2011PhRvB..84d5426R"
    }
  }
}