• Title of article

    Exploring conical intersection spaces using pseudo-dynamics and band optimization: a novel strategy Original Research Article

  • Author/Authors

    Daniele Passerone، نويسنده , , Teodoro Laino، نويسنده ,

  • Issue Information
    دوهفته نامه با شماره پیاپی سال 2005
  • Pages
    4
  • From page
    305
  • To page
    308
  • Abstract
    Recently, novel strategies based on pseudo-dynamics methods [T. Laino, D. Passerone, Chem. Phys. Lett. 389 (2004) 1] provided new technologies for sampling in an efficient way the seam of a conical intersection. In this contribution, after briefly reviewing the main features of our method, we show on one side how the results on ethylene anticipated in our previous paper are confirmed by calculation with a more accurate basis. Moreover, we show preliminary results on the topological properties of the seam of a retinal model fragment.
  • Keywords
    Conical intersections , Retinal , Band optimization , Ethylene , Pseudo-dynamics
  • Journal title
    Computer Physics Communications
  • Serial Year
    2005
  • Journal title
    Computer Physics Communications
  • Record number

    1136892