• Title of article

    Variational calculations of structures and energetics in very floppy trimers: A new computational implementation Original Research Article

  • Author/Authors

    S. Orlandini، نويسنده , , I. Baccarelli، نويسنده , , F.A. Gianturco، نويسنده ,

  • Issue Information
    ماهنامه با شماره پیاپی سال 2009
  • Pages
    8
  • From page
    384
  • To page
    391
  • Abstract
    Fully variational calculations which employ the Distributed Gaussian Functions (DGF) approach, and an overall potential within each trimer given as a sum of two-body potentials, have been implemented with a new computational scheme and used to verify the features of bound states in very weakly interacting systems. As test cases, the “half-neon” and the weakly bound bosonic He3, have been analyzed. The present, very extended expansions are discussed in detail and our findings are found to compare favorably with the existing results on these systems.
  • Keywords
    Computational chemistry , van der Waals systems , Bound state calculations , Variational expansion methods
  • Journal title
    Computer Physics Communications
  • Serial Year
    2009
  • Journal title
    Computer Physics Communications
  • Record number

    1137602