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Adaptive Time Propagation for Time-dependent Schrödinger equations

We compare adaptive time integrators for the numerical solution of linear Schrödinger equations where the Hamiltonian explicitly depends on time. The approximation methods considered are splitting methods, where the time variable is split off and advanced separately, and commutator-free Magnus-type...

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Autores principales: Auzinger, Winfried, Hofstätter, Harald, Koch, Othmar, Quell, Michael
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer India 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7749873/
https://www.ncbi.nlm.nih.gov/pubmed/33381631
http://dx.doi.org/10.1007/s40819-020-00937-9
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author Auzinger, Winfried
Hofstätter, Harald
Koch, Othmar
Quell, Michael
author_facet Auzinger, Winfried
Hofstätter, Harald
Koch, Othmar
Quell, Michael
author_sort Auzinger, Winfried
collection PubMed
description We compare adaptive time integrators for the numerical solution of linear Schrödinger equations where the Hamiltonian explicitly depends on time. The approximation methods considered are splitting methods, where the time variable is split off and advanced separately, and commutator-free Magnus-type methods. The time-steps are chosen adaptively based on asymptotically correct estimators of the local error in both cases. It is found that splitting methods are more efficient when the Hamiltonian naturally suggests a separation into kinetic and potential part, whereas Magnus-type integrators excel when the structure of the problem only allows to advance the time variable separately.
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spelling pubmed-77498732020-12-28 Adaptive Time Propagation for Time-dependent Schrödinger equations Auzinger, Winfried Hofstätter, Harald Koch, Othmar Quell, Michael Int J Appl Comput Math Original Paper We compare adaptive time integrators for the numerical solution of linear Schrödinger equations where the Hamiltonian explicitly depends on time. The approximation methods considered are splitting methods, where the time variable is split off and advanced separately, and commutator-free Magnus-type methods. The time-steps are chosen adaptively based on asymptotically correct estimators of the local error in both cases. It is found that splitting methods are more efficient when the Hamiltonian naturally suggests a separation into kinetic and potential part, whereas Magnus-type integrators excel when the structure of the problem only allows to advance the time variable separately. Springer India 2020-12-19 2021 /pmc/articles/PMC7749873/ /pubmed/33381631 http://dx.doi.org/10.1007/s40819-020-00937-9 Text en © The Author(s) 2020 Open AccessThis article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons licence, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons licence, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons licence and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this licence, visit http://creativecommons.org/licenses/by/4.0/.
spellingShingle Original Paper
Auzinger, Winfried
Hofstätter, Harald
Koch, Othmar
Quell, Michael
Adaptive Time Propagation for Time-dependent Schrödinger equations
title Adaptive Time Propagation for Time-dependent Schrödinger equations
title_full Adaptive Time Propagation for Time-dependent Schrödinger equations
title_fullStr Adaptive Time Propagation for Time-dependent Schrödinger equations
title_full_unstemmed Adaptive Time Propagation for Time-dependent Schrödinger equations
title_short Adaptive Time Propagation for Time-dependent Schrödinger equations
title_sort adaptive time propagation for time-dependent schrödinger equations
topic Original Paper
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7749873/
https://www.ncbi.nlm.nih.gov/pubmed/33381631
http://dx.doi.org/10.1007/s40819-020-00937-9
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