• Title of article

    Full solution to the coupled-cluster equations: the H4 model

  • Author/Authors

    Kowalski، نويسنده , , K and Jankowski، نويسنده , , K، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 1998
  • Pages
    9
  • From page
    180
  • To page
    188
  • Abstract
    A version of the homotopy (continuation) methods is successfully applied to calculating the full set of geometrically isolated solutions to a set of nonlinear equations determining the cluster amplitudes in coupled-cluster (CC) methods. The set of equations considered is obtained when applying the CC method, including two-body amplitudes (CCD), to the H4 model. The complete sets of solutions for the spinorbital and spin-symmetry adapted variants of the CCD equations consist of 20 and 12 solutions, respectively. At least 5 solutions are physically meaningful. In addition to standard and nonstandard solutions of the desired symmetry, broken-symmetry solutions are also documented. A preliminary analysis of the significance of the latter solutions is presented.
  • Journal title
    Chemical Physics Letters
  • Serial Year
    1998
  • Journal title
    Chemical Physics Letters
  • Record number

    1774132