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arXiv:1707.06173 · Journal of Physics A Mathematical and Theoretical

Bohmian trajectories for the half-line barrier

R. Dubertrand, Jeong-Bo Shim, Ward Struyve

Published Jan 25, 2018• 3 citations
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Abstract

Abstract Bohmian trajectories are considered for a particle that is free (i.e. the potential energy is zero), except for a half-line barrier. On the barrier, both Dirichlet and Neumann boundary conditions are considered. The half-line barrier yields one of the simplest cases of diffraction. Using the exact time-dependent propagator found by Schulman, the trajectories are computed numerically for different initial Gaussian wave packets. In particular, it is found that different boundary conditions may lead to qualitatively different sets of trajectories. In the Dirichlet case, the particles tend to be more strongly repelled. The case of an incoming plane wave is also considered. The corresponding Bohmian trajectories are compared with the trajectories of an oil drop hopping on the surface of a vibrating bath.

DOI
10.1088/1751-8121/aaa4f9

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Abstract Bohmian trajectories are considered for a particle that is free (i.e. the potential energy is zero), except for a half-line barrier. On the barrier, both Dirichlet and Neumann boundary conditions are considered. The half-line barrier yields one of the simplest cases of diffraction. Using the exact time-dependent propagator found by Schulman, the trajectories are computed numerically for different initial Gaussian wave packets. In particular, it is found that different boundary conditions may lead to qualitatively different sets of trajectories. In the Dirichlet case, the particles tend to be more strongly repelled. The case of an incoming plane wave is also considered. The corresponding Bohmian trajectories are compared with the trajectories of an oil drop hopping on the surface of a vibrating bath.
In two previous studies, the time-dependent scattering of a wave packet from a Gaussian barrier was investigated computationally in the complex z-plane. One of these involved the 'direct' propagation of the wave packet in the complex space, and the other used numerical analytic continuation techniques to generate the dynamics in the complex plane from the wave function computed on the real-axis. In the current study, the dynamics of exact quantum trajectories are analyzed for the same barrier scattering problem. Thousands of quantum trajectories were launched from positions near the center of the initial wave packet. These trajectories were computed by integrating equations-of-motion involving the quantum momentum function, which was obtained from the time-dependent wave function and its derivative. In order to analyze the dynamics, many trajectories were plotted on space-time diagrams. Particular emphasis was placed upon trajectories undergoing reflection in the barrier region. Some groups of strongly correlated trajectories form long-lived highly organized patterns, including helical wrappings around a series of stagnation filaments. These curves alternate with quasi-nodes where the amplitude of the wave function reaches low values. In addition, other trajectories for short times follow hyperbolic paths as they propagate near vorticity tubes surrounding these quasi-nodes.
A nonreflecting wavepacket is constructed by the superposition of reflectionless eigenstates of sech2 potential. Free propagation and propagation in the presence of the above potential of such a wavepacket is considered using the concept of arrival time. Comparison is made with the free evolving Gaussian wavepacket. Mean arrival time at a detector behind the well is given as a function of mass for separate cases. A selection of Bohmian trajectories in the interacting case are computed and compared to the trajectories of a free particle guided by a Gaussian packet.
Usually tunneling is established after imposing some matching conditions on the (time-independent) wavefunction and its first derivative at the boundaries of a barrier. Here an alternative scheme is proposed to determine tunneling and estimate transmission probabilities in time-dependent problems, which takes advantage of the trajectory picture provided by Bohmian mechanics. From this theory, a general functional expression for the transmission probability in terms of the system initial state can be reached. This expression is used here to analyze tunneling properties and estimate transmissions in the case of initial Gaussian wave packets colliding with ramp-like barriers.
In this study, an analysis of the one-dimensional Eckart and Gaussian barrier scattering problems is undertaken using approximate quantum trajectories. Individual quantum trajectories are computed using the derivative propagation method (DPM). Both real-valued and complex-valued DPM quantum trajectories are employed. Of interest are the deep tunneling and the higher energy barrier scattering problems in cases in which the scattering barrier is "thick" by comparison to the width of the initial wave packet. For higher energy scattering problems, it is found that real-valued DPM trajectories very accurately reproduce the transmitted probability densities at low orders when compared to large fixed-grid calculations. However, higher orders must be introduced to obtain good probabilities for deep tunneling problems. Complex-valued DPM is found to accurately reproduce transmitted probability densities at low order for both the deep tunneling and the higher energy scattering problems. Of particular note, complex-classical trajectories are found to very nearly give the exact result for the deep barrier tunneling scattering problem, and the complex DPM converges well at high orders for these thick barrier scattering problems. A variety of analyses are performed to elucidate the dynamics of complex-valued DPM trajectories. The complex-extended barrier potentials are examined in detail, including an analysis of the complex force. Of particular interest are initial conditions for complex-valued DPM trajectories known as isochrones. All trajectories launched from an isochrone arrive on the real axis on the transmitted side of the barrier at the same time. The computation and properties of isochrones as well as the behavior of the initial wave packet in the complex plane are also examined.
Let GGG be the time-dependent quantum mechanical propagator for a particle that is free except for a half-plane barrier with a straight edge. A closed-form exact expression for GGG is presented in terms of the Fresnel integral for the case where the initial and final positions lie in a plane perpendicular to the edge. GGG is not expressible as a sum over classical paths.