• Title of article

    A modified Born-Oppenheimer equation: application to conical intersections and other types of singularities

  • Author/Authors

    Baer، نويسنده , , Michael and Englman، نويسنده , , Robert، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 1997
  • Pages
    4
  • From page
    105
  • To page
    108
  • Abstract
    In this publication is presented a new treatment of conical intersection effects in molecular systems. It is shown that such effects, for a low enough energy, can be included in the ordinary Born-Oppenheimer approximation. A novel single-surface Schrِdinger equation for treating the motion of nuclei results from this treatment. A method for solving this equation is discussed and it is shown that the solution is governed by a phase factor which is only reminiscent of the Berry phase but is different.
  • Journal title
    Chemical Physics Letters
  • Serial Year
    1997
  • Journal title
    Chemical Physics Letters
  • Record number

    1779410