{
  "annotation_id": "2b581dec-2da1-493f-8fe7-47cad2f5570c",
  "date_created": "2026-03-02T18:01:21.908000Z",
  "date_modified": "2026-03-02T18:01:21.908000Z",
  "file_hash": "cbda4ce660e452d99ae745168f2e7dd09653a00c85ea9a5519f984fd9ac87f27",
  "private": false,
  "record": {
    "abstract": "Ab initio perturbed ion plus polarization calculations are reported for\ndoubly-charged nonstoichiometric (MgO)nMg2+ (n=1-29) cluster ions. We consider\na large number of isomers with full relaxations of the geometries, and add the\ncorrelation correction to the Hartree-Fock energies for all cluster sizes. The\npolarization contribution is included at a semiempirical level also for all\ncluster sizes. Comparison is made with theoretical results for neutral (MgO)n\nclusters and singly-charged alkali-halide cluster ions. Our method is also\ncompared to phenomenological pair potential models in order to asses their\nreliability for calculations on small ionic systems. The large\ncoordination-dependent polarizabilities of oxide anions favor the formation of\nsurface sites, and thus bulklike structures begin to dominate only after n=24.\nThe relative stabilities of the cluster ions against evaporation of a MgO\nmolecule show variations that are in excellent agreement with the experimental\nabundance spectra.",
    "arxiv_id": "physics/9808036",
    "authors": [
      "Andres Aguado",
      "Francisco Lopez-Gejo",
      "Jose M. Lopez"
    ],
    "categories": [
      "physics.atm-clus",
      "cond-mat"
    ],
    "doi": "10.1063/1.478366",
    "journal_ref": "J. Chem. Phys. 110 (1999) 4788",
    "title": "Structures and Stabilities of Doubly-charged (MgO)nMg2+ (n=1-29) Cluster   Ions",
    "url": "https://arxiv.org/abs/physics/9808036"
  },
  "schema_id": "dorsal/arxiv",
  "source": {
    "execution_id": "9c88f100-bceb-40ba-8be1-604678ddd58b",
    "id": "arXiv Dataset IDs",
    "type": "Model",
    "variant": "snapshot-2026-03-01",
    "version": "0.1.0"
  },
  "user_id": 1000002
}