{
  "annotation_id": "ee760534-11a0-4711-90e8-b8bf6f3c63e7",
  "date_created": "2026-03-02T18:01:20.660000Z",
  "date_modified": "2026-03-02T18:01:20.660000Z",
  "file_hash": "0e141db1d594bd946a18d6e09af55627fffb38b78deed82e0f063293853b92f1",
  "private": false,
  "record": {
    "abstract": "Ab initio Perturbed Ion (PI) calculations are reported for neutral\nstoichiometric (MgO)n clusters (n\u003c14). An extensive number of isomer structures\nwas identified and studied. For the isomers of (MgO)n (n\u003c8) clusters, a full\ngeometrical relaxation was considered. Correlation corrections were included\nfor all cluster sizes using the Coulomb-Hartree-Fock (CHF) model proposed by\nClementi. The results obtained compare favorably to the experimental data and\nother previous theoretical studies. Inclusion of correlaiotn is crucial in\norder to achieve a good description of these systems. We find an important\nnumber of new isomers which allows us to interpret the experimental magic\nnumbers without the assumption of structures based on (MgO)3 subunits. Finally,\nas an electronic property, the variations in the cluster ionization potential\nwith the cluster size were studied and related to the structural isomer\nproperties.",
    "arxiv_id": "physics/9706030",
    "authors": [
      "E. de la Puente",
      "A. Aguado",
      "A. Ayuela",
      "J. M. Lopez"
    ],
    "categories": [
      "physics.atm-clus",
      "cond-mat",
      "physics.chem-ph"
    ],
    "doi": "10.1103/PhysRevB.56.7607",
    "journal_ref": "Phys. Rev. B 56 (1997) 7607",
    "title": "Structural and Electronic Properties of Small Neutral (MgO)n Clusters",
    "url": "https://arxiv.org/abs/physics/9706030"
  },
  "schema_id": "dorsal/arxiv",
  "source": {
    "execution_id": "cb9294b8-8093-4f9e-ac50-903428976e99",
    "id": "arXiv Dataset IDs",
    "type": "Model",
    "variant": "snapshot-2026-03-01",
    "version": "0.1.0"
  },
  "user_id": 1000002
}