Computation of transmission probabilities for thin potential barriers with transmitted quantum trajectories

A computational method is presented for the evaluation of transmission probabilities for thin potential barriers by evolving an ensemble of transmitted quantum trajectories. A single row of second-order trajectories computed using the derivative propagation method is propagated to determine the initial conditions for transmitted quantum trajectories. As time evolves, trajectories reflected from the potential barrier are deleted from the ensemble. This method is applied to a two-dimensional system involving either a thin Eckart or Gaussian barrier along the reaction coordinate coupled to a harmonic oscillator. Transmission probabilities are in good agreement with the exact results. (C) 2015 Elsevier B.V. All rights reserved.