• Title of article

    The ionization energy of KO2(X̃2A2) and dissociation energies of KO2 and KO2+

  • Author/Authors

    Lee، نويسنده , , Edmond P.F and Wright، نويسنده , , Timothy G، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2002
  • Pages
    6
  • From page
    139
  • To page
    144
  • Abstract
    RCCSD(T) calculations, with an effective core potential for the inner electrons of potassium, and large polarized valence basis sets, have been used to calculate ionization energies of KO2. In addition, the binding energies of the ground electronic states of KO2, X̃2A2, and KO2+, X3Σ−, have been determined. Comparison with previous values is made, where possible, and an estimate made of the errors in our calculations. The binding energy of KO2+ is found to be very limited. It is concluded that the rôle of KO2+ in the upper atmosphere will be small.
  • Journal title
    Chemical Physics Letters
  • Serial Year
    2002
  • Journal title
    Chemical Physics Letters
  • Record number

    1782077