Chemical Physics Letters, Vol.669, 181-187, 2017
Approximate quantum trajectory approach to the Schrodinger-Langevin equation for barrier transmission
The Schrodinger-Langevin equation is approximately solved by propagating individual quantum trajectories for barrier transmission problems. Equations of motion are derived through use of the derivative propagation method, which leads to a hierarchy of coupled differential equations for the amplitude of the wave function and the spatial derivatives of the complex action along each trajectory. Computational results are presented for a one-dimensional Eckart barrier and a two-dimensional system involving either a thick or thin Eckart barrier along the reaction coordinate coupled to a harmonic oscillator. Frictional effects on the trajectory, the transmitted wave packet, and the transmission probability are analyzed. (C) 2016 Elsevier B.V. All rights reserved.
Keywords:Schrodinger-Langevin equation;Complex quantum Hamilton-Jacobi equation;Derivative propagation method;Barrier transmission;Frictional effect