• Title of article

    Application of the transcorrelated Hamiltonian to the linearized coupled cluster singles and doubles model

  • Author/Authors

    Hino، نويسنده , , Osamu and Tanimura، نويسنده , , Yoshitaka and Ten-no، نويسنده , , Seiichiro، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2002
  • Pages
    7
  • From page
    317
  • To page
    323
  • Abstract
    Explicitly correlated calculations using the transcorrelated Hamiltonian are performed at the level of linearized coupled cluster (LCC) theory. Two different reference functions are employed in the calculations and the results are compared with those of the conventional LCC. The application to the water molecule shows a markedly better convergence of the correlation energies when the transcorrelated Hamiltonian is used than in the conventional approach. We also present results for some other ten-electron systems, Ne, HF, NH3, and CH4.
  • Journal title
    Chemical Physics Letters
  • Serial Year
    2002
  • Journal title
    Chemical Physics Letters
  • Record number

    1779682