• Title of article

    Can ordinary single-reference coupled-cluster methods describe the potential energy curve of N2? The renormalized CCSDT(Q) study

  • Author/Authors

    Piecuch، نويسنده , , Piotr and Kucharski، نويسنده , , Stanis?aw A. and Kowalski، نويسنده , , Karol، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2001
  • Pages
    9
  • From page
    176
  • To page
    184
  • Abstract
    The recently proposed renormalized and completely renormalized CCSDT(Q) methods, which result from the method of moments of coupled-cluster equations, have been implemented and applied to the potential energy curve of N2. It is shown that the renormalized and completely renormalized CCSDT(Q) methods, employing the restricted Hartree–Fock reference, provide very good description of the potential energy curve of N2, in spite of the failure of the full CCSDT and perturbative CCSDT(Qf) approaches at large N–N separations.
  • Journal title
    Chemical Physics Letters
  • Serial Year
    2001
  • Journal title
    Chemical Physics Letters
  • Record number

    1777234