• Title of article

    Interference-corrected explicitly-correlated second-order perturbation theory

  • Author/Authors

    Vogiatzis، نويسنده , , Konstantinos D. and Barnes، نويسنده , , Ericka C. and Klopper، نويسنده , , Wim، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2011
  • Pages
    5
  • From page
    157
  • To page
    161
  • Abstract
    In the complete-basis-set (CBS) model chemistries, an interference correction is added to the total energy. It is added because the CBS-type extrapolation to the basis-set limit of second-order Møller–Plesset (MP2) perturbation theory usually overestimates the magnitude of the basis-set truncation error at higher levels of electron-correlation treatment. In this Letter, the question is pursued whether the CBS-type interference correction could also improve the computational results when the MP2 basis set limit is approached by means of explicitly-correlated MP2 theory using Slater-type geminals.
  • Journal title
    Chemical Physics Letters
  • Serial Year
    2011
  • Journal title
    Chemical Physics Letters
  • Record number

    1930844