{
  "id": "1307.0139",
  "version": "v2",
  "published": "2013-06-29T18:48:08.000Z",
  "updated": "2013-12-09T16:24:49.000Z",
  "title": "$N$-representability in non-collinear spin-polarized density functional theory",
  "authors": [
    "David Gontier"
  ],
  "doi": "10.1103/PhysRevLett.111.153001",
  "categories": [
    "math-ph",
    "math.MP",
    "quant-ph"
  ],
  "abstract": "The $N$-representability problem for non-collinear spin-polarized densities was left open in the pioneering work of von Barth and Hedin setting up the Kohn-Sham density functional theory for magnetic compounds. In this letter, we demonstrate that, contrarily to the non-polarized case, the sets of pure and mixed state $N$-representable densities are different in general. We provide a simple characterization of the latter by means of easily checkable necessary and sufficient conditions on the components $\\rho^{\\alpha \\beta} (\\br)$ of the spin-polarized density.",
  "revisions": [
    {
      "version": "v2",
      "updated": "2013-12-09T16:24:49.000Z"
    }
  ],
  "analyses": {
    "subjects": [
      "31.15.ec"
    ],
    "keywords": [
      "non-collinear spin-polarized density functional theory",
      "kohn-sham density functional theory",
      "left open",
      "von barth",
      "representability problem"
    ],
    "tags": [
      "journal article"
    ],
    "publication": {
      "publisher": "APS",
      "journal": "Physical Review Letters",
      "year": 2013,
      "month": "Oct",
      "volume": 111,
      "number": 15,
      "pages": 153001
    },
    "note": {
      "typesetting": "TeX",
      "pages": 0,
      "language": "en",
      "license": "arXiv",
      "status": "editable",
      "adsabs": "2013PhRvL.111o3001G"
    }
  }
}