• Title of article

    Explicitly correlated energies for neutral atoms and cations with 37 ⩽ Z ⩽ 54

  • Author/Authors

    Buendيa، نويسنده , , E. and Gلlvez، نويسنده , , F.J. and Sarsa، نويسنده , , A.، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2008
  • Pages
    3
  • From page
    190
  • To page
    192
  • Abstract
    The ground state of the neutral atoms Rb through Xe and their corresponding cations has been studied by using explicitly correlated wave functions in a non relativistic approach. The variational wave function has been previously used to study the neutral atoms Li through Kr and their cations. The ionization potential of these atoms has been calculated by including relativistic effects perturbatively. The calculation has been carried out by using the variational Monte Carlo method.
  • Journal title
    Chemical Physics Letters
  • Serial Year
    2008
  • Journal title
    Chemical Physics Letters
  • Record number

    1925230