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arXiv:1506.08701 · Reports on Mathematical Physics

A Multiple Scattering Theory Approach to Solving the Time-Dependent Schrödinger Equation with an Asymmetric Rectangular Potential

Victor F. Los, Nicholas V. Los

Published Apr 1, 2016• 1 citation
arXivHTMLPDF
DOI
10.1016/s0034-4877(16)30020-9

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A propagator for the one dimensional time-dependent Schrödinger equation with an asymmetric rectangular potential is obtained using the multiple-scattering theory approach. It allows for the consideration of the reflection and transmission processes as the particle scattering at the potential jump (in contrast to the conventional wave-like picture) and for accounting for the nonclassical counterintuitive contribution of the backward-moving component of the wave packet attributed to the particle. This propagator completely resolves the corresponding time-dependent Schrödinger equation (defines the wave function ψ(x,t)ψ(x,t)ψ(x,t)) and allows for considering the quantum mechanical effects of a particle reflection from the potential downward step/well and a particle tunneling through the potential barrier as a function of time. These results are related to fundamental issues such as measuring time in quantum mechanics (tunneling time, time of arrival, dwell time). For imaginary time, which represents an inverse temperature (t→−iℏ/kBT)(t\rightarrow-i{\hbar}/k_{B}T)(t→−iℏ/kB​T), the obtained propagator is equivalent to the density matrix for a particle that is in a heat bath and is subject to a rectangular potential. If one shifts to imaginary time (t→−it)(t\rightarrow-it)(t→−it), the matrix element of the calculated propagator in the spatial basis provides a solution to the diffusion-like equation with a rectangular potential. The obtained exact results are presented as the integrals from elementary functions and thus allow for a numerical visualization of the probability density ∣ψ(x,t)∣2|ψ(x,t)|^2∣ψ(x,t)∣2, the density matrix and the solution of the diffusion-like equation. The results obtained may also be useful for spintronics applications due to the fact that the asymmetric (spin-dependent) rectangular potential can model the potential profile in layered magnetic nanostructures.
A propagator for the one-dimensional time-dependent Schr¨odinger equation with an asymmetric rectangular potential is obtained, by using the multiple-scattering theory. It allows the consideration of the reflection and transmission processes as the scattering of a particle at the potential jump (in contrast to the conventional wave-like picture) and the account for the non-classical counterintuitive contribution of the backward-moving component of the wave packet attributed to a particle. This propagator completely resolves the corresponding time-dependent Schr¨odinger equation (defines the wave function w(x, t)) and allows the consideration of the quantum mechanical effects of a particle reflection from the potential downward step/well and a particle tunneling through the potential barrier as a function of the time. These results are related to fundamental issues such as measuring the time in quantum mechanics (tunneling time, time of arrival, dwell time). For the imaginary time, which represents an inverse temperature (t → −ih/kBT), the obtained propagator is equivalent to the density matrix for a particle that is in a heat bath and is subject to the action of a rectangular potential. This density matrix provides information about particles’ density in the different spatial areas relative to the potential location and on the quantum coherence of different particle spatial states. If one passes to the imaginary time (t → −it), the matrix element of the calculated propagator in the spatial basis provides a solution to the diffusion-like equation with a rectangular potential. The obtained exact results are presented as the integrals of elementary functions and thus allow a numerical visualization of the probability density |w(x, t)|2, the density matrix, and the solution of the diffusion-like equation. The results obtained may also be applied to spintronics due to the fact that the asymmetric (spin-dependent) rectangular potential can model the potential profile in layered magnetic nanostructures.
An exact time-dependent solution for the wave function (r, t) of a particle moving in the presence of an asymmetric rectangular well/barrier potential varying in one dimension is obtained by applying a novel for this problem approach using multiple scattering theory (MST) for the calculation of the space-time propagator.This approach, based on the found effective potentials localized at the potential jumps and responsible for transmission through and reflection from the considered rectangular potential, enables considering these processes from standpoint of a particle (rather than a wave).The solution describes these quantum phenomena as time dependent and is related to both the fundamental issues (such as time measurement) of quantum mechanics and the kinetic theory of nanostructures due to the fact that the considered potential can model the spin-dependent potential profile of the magnetic multilayers used in spintronics devices.It is presented in terms of integrals of elementary functions and is a sum of the forward-and backward-moving components of the wave packet.The relative contribution of these components and their interference as well as of the potential asymmetry to both the probability density (x, t) 2 and the particle dwell time is considered and numerically visualized for the narrow and broad energy (momentum) distributions of the initial Gaussian wave packet.As shown, in the case of a broad initial wave packet, the quantum-mechanical counterintuitive