{
  "id": "1108.1039",
  "version": "v1",
  "published": "2011-08-04T10:29:08.000Z",
  "updated": "2011-08-04T10:29:08.000Z",
  "title": "Reply to Comment on \"Critical analysis of a variational method used to describe molecular electron transport\"",
  "authors": [
    "Ioan Baldea",
    "Horst Köppel"
  ],
  "comment": "Manuscript as submitted to Phys. Rev. B on 30 November 2010. Sections VII, VIII, and IX present significant details, which enlarge the analysis of the published version",
  "journal": "Phys. Rev. B 84 (3) 037305 (2011)",
  "doi": "10.1103/PhysRevB.84.037305",
  "categories": [
    "cond-mat.mes-hall"
  ],
  "abstract": "We show that the failure of the Delaney-Greer (DG) variational ansatz for transport demonstrated by us in Phys.\\ Rev.\\ B {\\bf 80}, 165301 (2009) (I) is not related to an unsuitable constraint that prevents a broken time-reversal symmetry or to real orbitals, as DG incorrectly claim. The complex orbitals suggested by them as a way-out solution merely represent a particular case of the general case considered by us in I, which do not in the least affect our conclusion.",
  "revisions": [
    {
      "version": "v1",
      "updated": "2011-08-04T10:29:08.000Z"
    }
  ],
  "analyses": {
    "subjects": [
      "73.63.-b",
      "73.23.-b"
    ],
    "keywords": [
      "molecular electron transport",
      "variational method",
      "critical analysis",
      "way-out solution merely represent",
      "broken time-reversal symmetry"
    ],
    "tags": [
      "journal article"
    ],
    "publication": {
      "publisher": "APS",
      "journal": "Physical Review B",
      "year": 2011,
      "month": "Jul",
      "volume": 84,
      "number": 3,
      "pages": "037305"
    },
    "note": {
      "typesetting": "TeX",
      "pages": 0,
      "language": "en",
      "license": "arXiv",
      "status": "editable",
      "adsabs": "2011PhRvB..84c7305B"
    }
  }
}