• Title of article

    Semiclassical dynamics based on quantum trajectories

  • Author/Authors

    Garashchuk، نويسنده , , Sophya and Rassolov، نويسنده , , Vitaly A.، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2002
  • Pages
    6
  • From page
    562
  • To page
    567
  • Abstract
    We present a trajectory-based method that incorporates quantum effects in the context of Hamiltonian dynamics. It is based on propagation of trajectories in the presence of quantum potential within the hydrodynamic formulation of the Schrödinger equation. The quantum potential is derived from the density approximated as a linear combination of gaussian functions. One-gaussian fit gives exact result for parabolic potentials, as do successful semiclassical methods. The limit of the large number of fitting gaussians and trajectories gives the full quantum–mechanical result. The method is systematically improvable from classical to fully quantum, as demonstrated on a transmission through the Eckart barrier.
  • Journal title
    Chemical Physics Letters
  • Serial Year
    2002
  • Journal title
    Chemical Physics Letters
  • Record number

    1782318