A numerical algorithm for solving the coupled Schrödinger equations using inverse power method

The inverse power method is a numerical algorithm to obtain the eigenvectors of a matrix. In this work, we develop an iteration algorithm, based on the inverse power method, to numerically solve the Schrödinger equation that couples an arbitrary number of components. Such an algorithm can also be ap...

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Vydáno v:Computer physics communications Ročník 303; s. 109284
Hlavní autoři: Zhao, Jiaxing, Shi, Shuzhe
Médium: Journal Article
Jazyk:angličtina
Vydáno: Elsevier B.V 01.10.2024
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ISSN:0010-4655, 1879-2944
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Abstract The inverse power method is a numerical algorithm to obtain the eigenvectors of a matrix. In this work, we develop an iteration algorithm, based on the inverse power method, to numerically solve the Schrödinger equation that couples an arbitrary number of components. Such an algorithm can also be applied to the multi-body systems. To show the power and accuracy of this method, we also present an example of solving the Dirac equation under the presence of an external scalar potential and a constant magnetic field, with source code publicly available.
AbstractList The inverse power method is a numerical algorithm to obtain the eigenvectors of a matrix. In this work, we develop an iteration algorithm, based on the inverse power method, to numerically solve the Schrödinger equation that couples an arbitrary number of components. Such an algorithm can also be applied to the multi-body systems. To show the power and accuracy of this method, we also present an example of solving the Dirac equation under the presence of an external scalar potential and a constant magnetic field, with source code publicly available.
ArticleNumber 109284
Author Zhao, Jiaxing
Shi, Shuzhe
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  organization: Physics Department, Tsinghua University, Beijing 100084, China
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Keywords Inverse power method
Coupled Schrödinger-like equations
Eigenvalue and eigenstate
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Snippet The inverse power method is a numerical algorithm to obtain the eigenvectors of a matrix. In this work, we develop an iteration algorithm, based on the inverse...
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StartPage 109284
SubjectTerms Coupled Schrödinger-like equations
Eigenvalue and eigenstate
Inverse power method
Title A numerical algorithm for solving the coupled Schrödinger equations using inverse power method
URI https://dx.doi.org/10.1016/j.cpc.2024.109284
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