• Title of article

    Accurate potential energy curves for Zn+–Rg (Rg = He–Rn): Spectroscopy and transport coefficients

  • Author/Authors

    Lee، نويسنده , , Edmond P.F. and Gray، نويسنده , , Benjamin R. and Joyner، نويسنده , , Nicole A. and Johnson، نويسنده , , Stephanie H. and Viehland، نويسنده , , Larry A. and Breckenridge، نويسنده , , W.H. and Wright، نويسنده , , Timothy G.، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2007
  • Pages
    6
  • From page
    19
  • To page
    24
  • Abstract
    High-quality ab initio potential energy curves are presented for the Zn+–Rg series (Rg = He–Rn). Calculations are performed at the RCCSD(T) level of theory, employing aug-cc-pV5Z quality basis sets, with ‘small core’ relativistic effective core potentials being used for Kr–Rn. We present spectroscopic information for the titular species, derived from our potential energy curves, and compare to previous results. We also present calculated ion transport data and show that mobility minima occur for a number of these systems, albeit at low gas temperatures for some of them.
  • Journal title
    Chemical Physics Letters
  • Serial Year
    2007
  • Journal title
    Chemical Physics Letters
  • Record number

    1923173