• Title of article

    A quenching method in quantum-classical studies of dynamics with a bifurcating wavefunction

  • Author/Authors

    Wang، نويسنده , , Lichang and Clary، نويسنده , , David C.، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 1996
  • Pages
    8
  • From page
    284
  • To page
    291
  • Abstract
    A quenching method is developed to study the dynamics of a system which exhibits more than one maximum in the probability distribution of the wavefunction in configuration space during a mixed quantum-classical molecular dynamics simulation. The method is straightforward and easy to implement, and gives a physically correct description of the dynamics. As an illustration of the method, the dynamics of HCl colliding with an ice surface is simulated.
  • Journal title
    Chemical Physics Letters
  • Serial Year
    1996
  • Journal title
    Chemical Physics Letters
  • Record number

    1778838