{
  "id": "1112.0746",
  "version": "v1",
  "published": "2011-12-04T11:27:33.000Z",
  "updated": "2011-12-04T11:27:33.000Z",
  "title": "Atomistic-to-Continuum Coupling Approximation of a One-Dimensional Toy Model for Density Functional Theory",
  "authors": [
    "B. Langwallner",
    "C. Ortner",
    "E. Süli"
  ],
  "categories": [
    "math.NA",
    "math.AP"
  ],
  "abstract": "We consider an atomistic model defined through an interaction field satisfying a variational principle, and can therefore be considered a toy model of (orbital free) density functional theory. We investigate atomistic-to-continuum coupling mechanisms for this atomistic model, paying special attention to the dependence of the atomistic subproblem on the atomistic region boundary and the boundary conditions. We rigorously prove first-order error estimates for two related coupling mechanisms.",
  "revisions": [
    {
      "version": "v1",
      "updated": "2011-12-04T11:27:33.000Z"
    }
  ],
  "analyses": {
    "subjects": [
      "65N12",
      "65N15",
      "70C20"
    ],
    "keywords": [
      "density functional theory",
      "one-dimensional toy model",
      "atomistic-to-continuum coupling approximation",
      "atomistic model",
      "coupling mechanisms"
    ],
    "note": {
      "typesetting": "TeX",
      "pages": 0,
      "language": "en",
      "license": "arXiv",
      "status": "editable",
      "adsabs": "2011arXiv1112.0746L"
    }
  }
}