• Title of article

    Application of the intermediate Hamiltonian valence-universal coupled-cluster method to atomic systems with one valence electron

  • Author/Authors

    Meissner، نويسنده , , L. and Malinowski، نويسنده , , P. and Nowaczyk، نويسنده , , A.، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2003
  • Pages
    10
  • From page
    441
  • To page
    450
  • Abstract
    The atomic version of valence-universal coupled-clusters method in the intermediate Hamiltonian formulation with one- and two-body part included in the cluster operator is applied to describe the ground state and some excited states of Li, B, Na, and Mg+ atomic systems. The Slater-type spdfg basis sets are employed. The results are corrected for the three-body cluster operator which is included in an approximate way into the method as a noniterative correction of the third order in the perturbation. Values of calculated ionization potentials and excitation energies are well reproduced, however, the effects of three-body clusters are, with an exception for the B atom, small for the considered systems.
  • Journal title
    Chemical Physics Letters
  • Serial Year
    2003
  • Journal title
    Chemical Physics Letters
  • Record number

    1784251