• Title of article

    Equilibrium properties of clusters in the harmonic superposition approximation

  • Author/Authors

    Calvo، نويسنده , , F and Doye، نويسنده , , J.P.K and Wales، نويسنده , , D.J، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2002
  • Pages
    8
  • From page
    176
  • To page
    183
  • Abstract
    The inherent structure approach, or superposition approach is used to calculate some physical and chemical properties of clusters in thermodynamic equilibrium, for both the classical and quantum regimes. In the harmonic approximation some simple analytical estimates are obtained for the average polarizability of metal clusters, and for the photoabsorption intensity of chromophore-doped van der Waals clusters. Comparison with Monte Carlo simulations reveals good agreement, which could be further improved using systematic corrections for anharmonic perturbations.
  • Journal title
    Chemical Physics Letters
  • Serial Year
    2002
  • Journal title
    Chemical Physics Letters
  • Record number

    1782441