• Title of article

    Pair annihilation of conical intersections and a study to infer the phenomenon

  • Author/Authors

    Vértesi، نويسنده , , T and Bene، نويسنده , , E، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2004
  • Pages
    6
  • From page
    17
  • To page
    22
  • Abstract
    The fact known from ab initio calculations, that in molecular systems with real Hamiltonian, surrounding a two-state conical intersection (ci) with a small circle in the configuration space of nuclear coordinates the angle of the adiabatic-to-diabatic transformation (ADT) matrix forms a phase of ±π, is rigorously proved for the most general case and a condition is given to decide whether +π or −π values should be assigned to the particular seam of ci. We show how can be explained on a straightforward way the disappearance i.e. the `pair annihilationʹ of conical intersections with the aid of ±sign attached to the ci.
  • Journal title
    Chemical Physics Letters
  • Serial Year
    2004
  • Journal title
    Chemical Physics Letters
  • Record number

    1784874