{
  "annotation_id": "52bdac5c-36f8-48cb-80ba-2349cd17cde0",
  "date_created": "2026-03-02T18:01:21.295000Z",
  "date_modified": "2026-03-02T18:01:21.295000Z",
  "file_hash": "e44075082e340fb188aece6b6453401c59b941e6a0fb792e7f00979a131a5f30",
  "private": false,
  "record": {
    "abstract": "Ab initio calculations using the Perturbed Ion model, with correlation\ncontributions included, are presented for nonstoichiometric (NaI)_nNa+ and\n(CsI)_nCs+ (n=1-14) cluster ions. The ground state and several low-lying\nisomers are identified and described. Rocksalt ground states are common and\nappear at cluster sizes lower than in the corresponding neutral systems. The\nmost salient features of the measured mobilities seem to be explained by\narguments related to the changes of the compactness of the clusters as a\nfunction of size. The stability of the cluster ions against evaporation of a\nsingle alkali halide molecule shows variations that explain the enhanced\nstabilities found experimentally for cluster sizes n=4, 6, 9, and 13. Finally,\nthe ionization energies and the orbital eigenvalue spectrum of two (NaI)_13Na+\nisomers are calculated and shown to be a fingerprint of the structure.",
    "arxiv_id": "physics/9806025",
    "authors": [
      "A. Aguado",
      "A. Ayuela",
      "J. M. Lopez",
      "J. A. Alonso"
    ],
    "categories": [
      "physics.atm-clus",
      "cond-mat"
    ],
    "doi": "10.1103/PhysRevB.58.9972",
    "journal_ref": "Phys. Rev. B 58 (1998) 9972",
    "title": "Ab initio calculations of structures and stabilities of (NaI)_nNa+ and   (CsI)_nCs+ cluster ions",
    "url": "https://arxiv.org/abs/physics/9806025"
  },
  "schema_id": "dorsal/arxiv",
  "source": {
    "execution_id": "17294907-91ac-478e-a1e6-c15e6a2b9660",
    "id": "arXiv Dataset IDs",
    "type": "Model",
    "variant": "snapshot-2026-03-01",
    "version": "0.1.0"
  },
  "user_id": 1000002
}