Perfectly matched layers versus discrete transparent boundary conditions in quantum device simulations
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Publication:349409
DOI10.1016/J.JCP.2014.06.049zbMATH Open1349.81033arXiv1312.1565OpenAlexW2096162636MaRDI QIDQ349409FDOQ349409
Ansgar Jüngel, Jan-Frederik Mennemann
Publication date: 5 December 2016
Published in: Journal of Computational Physics (Search for Journal in Brave)
Abstract: Discrete transparent boundary conditions (DTBC) and the Perfectly Matched Layers (PML) method for the realization of open boundary conditions in quantum device simulations are compared, based on the stationary and time-dependent Schr"odinger equation. The comparison includes scattering state, wave packet, and transient scattering state simulations in one and two space dimensions. The Schr"odinger equation is discretized by a second-order Crank-Nicolson method in case of DTBC. For the discretization with PML, symmetric second-, fourth, and sixth-order spatial approximations as well as Crank-Nicolson and classical Runge-Kutta time-integration methods are employed. In two space dimensions, a ring-shaped quantum waveguide device is simulated in the stationary and transient regime. As an application, a simulation of the Aharonov-Bohm effect in this device is performed, showing the excitation of bound states localized in the ring region. The numerical experiments show that the results obtained from PML are comparable to those obtained using DTBC, while keeping the high numerical efficiency and flexibility as well as the ease of implementation of the former method.
Full work available at URL: https://arxiv.org/abs/1312.1565
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[https://portal.mardi4nfdi.de/w/index.php?title=+Special%3ASearch&search=Schr%EF%BF%BD%EF%BF%BDdinger+equation&go=Go Schr��dinger equation]perfectly matched layersAharonov-Bohm effectdiscrete transparent boundary conditionsquantum waveguidestransient simulations
Quantum measurement theory, state operations, state preparations (81P15) Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics (81Q05)
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Cited In (10)
- An alternating-direction hybrid implicit-explicit finite-difference time-domain method for the Schrödinger equation
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- The discrete Green's function method for wave packet expansion via the free Schrödinger equation
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