High-order commutator-free exponential time-propagation of driven quantum systems
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Publication:551015
DOI10.1016/J.JCP.2011.04.006zbMATH Open1219.81091arXiv1102.5071OpenAlexW2115249840MaRDI QIDQ551015FDOQ551015
Authors: Andreas Alvermann, Holger Fehske 
Publication date: 13 July 2011
Published in: Journal of Computational Physics (Search for Journal in Brave)
Abstract: We discuss the numerical solution of the Schr"odinger equation with a time-dependent Hamilton operator using commutator-free time-propagators. These propagators are constructed as products of exponentials of simple weighted sums of the Hamilton operator. Owing to their exponential form they strictly preserve the unitarity of time-propagation. The absence of commutators or other computationally involved operations allows for straightforward implementation and application also to large scale and sparse matrix problems. We explain the derivation of commutator-free exponential time-propagators in the context of the Magnus expansion, and provide optimized propagators up to order eight. An extensive theoretical error analysis is presented together with practical efficiency tests for different problems. Issues of practical implementation, in particular the use of the Krylov technique for the calculation of exponentials, are discussed. We demonstrate for two advanced examples, the hydrogen atom in an electric field and pumped systems of multiple interacting two-level systems or spins that this approach enables fast and accurate computations.
Full work available at URL: https://arxiv.org/abs/1102.5071
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Applications of Lie groups to the sciences; explicit representations (22E70) Time-dependent Schrödinger equations and Dirac equations (35Q41) Numerical methods for Hamiltonian systems including symplectic integrators (65P10) Computational methods for problems pertaining to quantum theory (81-08) Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics (81Q05)
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Cited In (32)
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