• Title of article

    Local MP2 periodic study of rare-gas crystals

  • Author/Authors

    Halo، نويسنده , , Migen and Casassa، نويسنده , , Silvia and Maschio، نويسنده , , Lorenzo and Pisani، نويسنده , , Cesare، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2009
  • Pages
    5
  • From page
    294
  • To page
    298
  • Abstract
    The Cryscor code, a computational tool which solves the second-order Møller–Plesset local equations for periodic systems, is applied to fcc rare-gas crystals Ne through Xe. Cohesive energies, equilibrium lattice parameters and bulk moduli are calculated; DFT calculations have been performed for purposes of comparison.
  • Journal title
    Chemical Physics Letters
  • Serial Year
    2009
  • Journal title
    Chemical Physics Letters
  • Record number

    1925476

    • Link To Document
    https://search.isc.ac/dl/search/defaultta.aspx?DTC=10&DC=1925476