• Title of article

    A new spin-polarized Colle-Salvetti-type correlation energy functional

  • Author/Authors

    Tsuneda، نويسنده , , Takao and Hirao، نويسنده , , Kimihiko، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 1997
  • Pages
    11
  • From page
    510
  • To page
    520
  • Abstract
    A new spin-polarized Colle-Salvetti-type dynamical correlation functional is proposed that treats the opposite-spin and parallel-spin correlations. The functional gives good results for total correlation energies and the spin-polarized components for the ground states of the atoms He through Ar. The correlation energies of the excited states and the ground state are well balanced in this treatment, leading to an accurate estimate of the energy difference between two states when the Hartree-Fock methods gives a good description.
  • Journal title
    Chemical Physics Letters
  • Serial Year
    1997
  • Journal title
    Chemical Physics Letters
  • Record number

    1780403