• Title of article

    Conical intersection revisited: extension to an elliptic form

  • Author/Authors

    Baer، نويسنده , , Michael and Mebel، نويسنده , , Alexander M. and Englman، نويسنده , , Robert، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2002
  • Pages
    8
  • From page
    243
  • To page
    250
  • Abstract
    In this Letter we relate to a general 2×2 diabatic potential matrix for which is derived an analytic expression for the various non-adiabatic coupling terms. Its main advantage is in leading to a simple algorithm to determine the number and the kind of conical intersections one encounters in a (planar) region defined by a closed contour. This approach was tested with respect to two models, one of them is the elliptical linear model. This model was then, further, applied to simulate ab initio results obtained for the C2H molecule.
  • Journal title
    Chemical Physics Letters
  • Serial Year
    2002
  • Journal title
    Chemical Physics Letters
  • Record number

    1779870