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...

Full description

Saved in:
Bibliographic Details
Published inComputer physics communications Vol. 303; p. 109284
Main Authors Zhao, Jiaxing, Shi, Shuzhe
Format Journal Article
LanguageEnglish
Published Elsevier B.V 01.10.2024
Subjects
Coupled Schrödinger-like equations
Eigenvalue and eigenstate
Inverse power method
Inverse power method
Coupled Schrödinger-like equations
Eigenvalue and eigenstate
Online AccessGet full text
ISSN0010-4655
1879-2944
DOI10.1016/j.cpc.2024.109284

Cover

More Information
Summary: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.
ISSN:0010-4655
1879-2944
DOI:10.1016/j.cpc.2024.109284