• Title of article

    Basis set limit value for the static dipole polarizability of beryllium

  • Author/Authors

    Tunega، نويسنده , , Daniel and Noga، نويسنده , , Jozef and Klopper، نويسنده , , Wim، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 1997
  • Pages
    6
  • From page
    435
  • To page
    440
  • Abstract
    The static dipole polarizability (α) and the second dipole hyperpolarizability (γ) for the ground state of the beryllium atom are calculated using the recently developed explicitly correlated (electronic cusp corrected) coupled cluster method (CC-R12) and high quality basis sets of Gaussian atomic functions. The CC-R12 convergence with increasing size of the basis set of the polarizability towards the limiting value is significantly faster than for the conventional coupled cluster approach. The predicted values are α = 37.73 ± 0.05 au and γ = 32.0 ± 1.0 × 103 au.
  • Journal title
    Chemical Physics Letters
  • Serial Year
    1997
  • Journal title
    Chemical Physics Letters
  • Record number

    1780599