• Title of article

    The Hartree–Fock magnetizability of C60

  • Author/Authors

    Ruud، نويسنده , , Kenneth and إgren، نويسنده , , Hans and Helgaker، نويسنده , , Trygve and Dahle، نويسنده , , Pهl and Koch، نويسنده , , Henrik and Taylor، نويسنده , , Peter R، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 1998
  • Pages
    5
  • From page
    205
  • To page
    209
  • Abstract
    Using London atomic orbitals and a recent parallel implementation of our second-order ab initio property code, we have determined the Hartree–Fock limit for the magnetizability of C60 to be −359±5 ppm cgs, in excellent agreement with earlier basis-set limit extrapolations. Using diamagnetic exaltation as a criterion for aromaticity, our calculations show that C60 is an aromatic molecule with a relative diamagnetic exaltation greater than that of benzene.
  • Journal title
    Chemical Physics Letters
  • Serial Year
    1998
  • Journal title
    Chemical Physics Letters
  • Record number

    1772591