• Title of article

    Sensitivity of the geometric phase effect to resonances, the potential energy surface, the partial wave sum, and the energy

  • Author/Authors

    Kuppermann، نويسنده , , Aron and Wu، نويسنده , , Y.-S.Mark، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2001
  • Pages
    10
  • From page
    537
  • To page
    546
  • Abstract
    It has recently been argued that the geometric phase (GP) effect is not important for the differential cross-sections (DCSs) of the H+D2 reaction at Etot=1.481 eV, in sharp contrast with previous calculations. It is shown here that this argument is based on an invalid extrapolation from partial wave sums truncated at Jmax=5 to converged results. It is also shown that the GP effect is strongly affected by resonances, whose characteristics are very sensitive to the potential energy surface (PES). Finally, it is argued that reliable theoretical predictions and identifications of experimental resonances require that converged GP calculations be performed with sufficiently accurate PESs.
  • Journal title
    Chemical Physics Letters
  • Serial Year
    2001
  • Journal title
    Chemical Physics Letters
  • Record number

    1778721