• Title of article

    Relativistic coupled-cluster calculations of spectroscopic and chemical properties for element 120

  • Author/Authors

    Skripnikov، نويسنده , , L.V. and Mosyagin، نويسنده , , N.S. and Titov، نويسنده , , A.V.، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2013
  • Pages
    5
  • From page
    79
  • To page
    83
  • Abstract
    The coupled cluster calculations taking into account relativistic effects to study spectroscopic and chemical properties of element 120 (E120) are performed. A generalized relativistic effective core potential for the 10 explicitly treated electrons of E120 atom was generated to perform molecular calculations. Similar calculations for Ba are also done and they are in a good agreement with the experimental data. Dissociation energies of diatomic X–H and X–Au molecules, where X = E120, Ba, are calculated; for E120 they are found to be 1.5 – 2 times smaller than those for Ba.
  • Journal title
    Chemical Physics Letters
  • Serial Year
    2013
  • Journal title
    Chemical Physics Letters
  • Record number

    1934083