Numerical approaches to time evolution of complex quantum systems

DOI10.1016/J.PHYSLETA.2009.04.022MaRDI QIDQ2429225zbMATH OpenOpenAlexFDO

Authors Holger Fehske, Jens Schleede, Gerald Schubert, Gerhard Wellein, Vladimir Filinov, A. R. Bishop

Publication date 24 April 2012

Published in Physics Letters. A (Search for Journal in Brave)

Full work available at URL https://arxiv.org/abs/0907.3022

zbMATH Keywords

Crank-Nicholson schemeWigner-Moyal approachquantum tomographic approaches

Mathematics Subject Classification ID

Time-dependent Schrödinger equations and Dirac equations (35Q41) Best approximation, Chebyshev systems (41A50) Iterative procedures involving nonlinear operators (47J25) Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics (81Q05) Semiclassical techniques, including WKB and Maslov methods applied to problems in quantum theory (81Q20) Quantum state estimation, approximate cloning (81P50) Dynamics of disordered systems (random Ising systems, etc.) in time-dependent statistical mechanics (82C44) Statistical mechanics of nanostructures and nanoparticles (82D80)

Abstract: We examine several numerical techniques for the calculation of the dynamics of quantum systems. In particular, we single out an iterative method which is based on expanding the time evolution operator into a finite series of Chebyshev polynomials. The Chebyshev approach benefits from two advantages over the standard time-integration Crank-Nicholson scheme: speedup and efficiency. Potential competitors are semiclassical methods such as the Wigner-Moyal or quantum tomographic approaches. We outline the basic concepts of these techniques and benchmark their performance against the Chebyshev approach by monitoring the time evolution of a Gaussian wave packet in restricted one-dimensional (1D) geometries. Thereby the focus is on tunnelling processes and the motion in anharmonic potentials. Finally we apply the prominent Chebyshev technique to two highly non-trivial problems of current interest: (i) the injection of a particle in a disordered 2D graphene nanoribbon and (ii) the spatiotemporal evolution of polaron states in finite quantum systems. Here, depending on the disorder/electron-phonon coupling strength and the device dimensions, we observe transmission or localisation of the matter wave.

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(8)

• Linear scaling quantum transport methodologies
• The Chebyshev propagator for quantum systems
• Modeling complex quantum dynamics: evolution of numerical algorithms in the HPC context
• Efficient linear-scaling quantum transport calculations on graphics processing units and applications on electron transport in graphene
• On the difference between thermalization in open and isolated quantum systems: a case study
• scientific article; zbMATH DE number 5984323 (Why is no real title available?)
• Conditions for quantum and classical tomogram-like functions to describe system states and to retain normalizations during time evolution
• Comparative study of semiclassical approaches to quantum dynamics

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