Logo image
Complex-valued derivative propagation method with approximate Bohmian trajectories for quantum barrier scattering
Journal article   Peer reviewed

Complex-valued derivative propagation method with approximate Bohmian trajectories for quantum barrier scattering

Chia-Chun Chou
Chemical Physics, Vol.457, pp.160-170
03/07/2015

Abstract

Bohmian trajectory Complex quantum Hamilton-Jacobi equation Derivative propagation method Quantum barrier scattering
Abstract The complex quantum Hamilton-Jacobi equation for the complex action is approximately solved by propagating individual Bohmian trajectories in real space. Equations of motion for the complex action and its spatial derivatives are derived through use of the derivative propagation method. We transform these equations into the arbitrary Lagrangian-Eulerian version with the grid velocity matching the flow velocity of the probability fluid. Setting higher-order derivatives equal to zero, we obtain a truncated system of equations of motion describing the rate of change in the complex action and its spatial derivatives transported along approximate Bohmian trajectories. A set of test trajectories is propagated to determine appropriate initial positions for transmitted trajectories. Computational results for transmitted wave packets and transmission probabilities are presented and analyzed 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.

Metrics

1 Record Views

Details

Logo image