{
  "id": "1108.0021",
  "version": "v4",
  "published": "2011-07-29T21:31:58.000Z",
  "updated": "2012-09-13T15:56:18.000Z",
  "title": "Effective Field Theory of Interacting π-Electrons",
  "authors": [
    "Joshua D. Barr",
    "Justin P. Bergfield",
    "Charles A. Stafford"
  ],
  "comment": "13 pages, 9 figures",
  "journal": "Phys. Rev. B 86, 115403 (2012)",
  "doi": "10.1103/PhysRevB.86.115403",
  "categories": [
    "cond-mat.mes-hall"
  ],
  "abstract": "We develop a \\pi-electron effective field theory (\\pi-EFT) wherein the two-body Hamiltonian for a \\pi-electron system is expressed in terms of three effective parameters: the \\pi-orbital quadrupole moment, the on-site repulsion, and a dielectric constant. As a first application of this \\pi-EFT, we develop a model of screening in molecular junctions based on image multipole moments, and use this to investigate the reduction of the HOMO-LUMO gap of benzene. Beyond this, we also use \\pi-EFT to calculate the differential conductance spectrum of the prototypical benzenedithiol-Au single-molecule junction and the \\pi-electron contribution to the van der Waals interaction between benzene and a metallic electrode.",
  "revisions": [
    {
      "version": "v4",
      "updated": "2012-09-13T15:56:18.000Z"
    }
  ],
  "analyses": {
    "subjects": [
      "73.63.Rt",
      "31.15.bu",
      "34.35.+a",
      "85.65.+h"
    ],
    "keywords": [
      "effective field theory",
      "van der waals interaction",
      "differential conductance spectrum",
      "prototypical benzenedithiol-au single-molecule junction",
      "image multipole moments"
    ],
    "tags": [
      "journal article"
    ],
    "publication": {
      "publisher": "APS",
      "journal": "Physical Review B",
      "year": 2012,
      "month": "Sep",
      "volume": 86,
      "number": 11,
      "pages": 115403
    },
    "note": {
      "typesetting": "TeX",
      "pages": 13,
      "language": "en",
      "license": "arXiv",
      "status": "editable",
      "adsabs": "2012PhRvB..86k5403B"
    }
  }
}