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doi:10.1016/j.cpc.2008.01.038    
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Copyright © 2008 Elsevier B.V. All rights reserved.

An algebraic method for Schrödinger equations in quaternionic quantum mechanicsstar, open

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Tongsong Jianga, b, Corresponding Author Contact Information, E-mail The Corresponding Author and Li Chenc

aDepartment of Mathematics, Linyi Normal University, Shandong 276005, China

bDepartment of Computer Science and Technology, Shandong University, Jinan 250100, China

cDepartment of Physics, Linyi Normal University, Shandong 276005, China


Received 2 December 2007; 
revised 8 January 2008; 
accepted 16 January 2008. 
Available online 31 January 2008.

Abstract

In the study of theory and numerical computations of quaternionic quantum mechanics and quantum chemistry, one of the most important tasks is to solve the Schrödinger equation View the MathML source with A an anti-self-adjoint real quaternion matrix, and |fright-pointing angle bracket an eigenstate to A. The quaternionic Schrödinger equation plays an important role in quaternionic quantum mechanics, and it is known that the study of the quaternionic Schrödinger equation is reduced to the study of quaternionic eigen-equation Aα=αλ with A an anti-self-adjoint real quaternion matrix (time-independent). This paper, by means of complex representation of quaternion matrices, introduces concepts of norms of quaternion matrices, studies the problems of quaternionic Least Squares eigenproblem, and give a practical algebraic technique of computing approximate eigenvalues and eigenvectors of a quaternion matrix in quaternionic quantum mechanics.

Keywords: Schrödinger equation; Quaternion matrix; Least Squares eigenproblem; Quaternionic quantum mechanics

Article Outline

1. Introduction
2. Norms of quaternion matrices
3. Quaternionic Least Squares eigenproblem
4. Algorithm
5. Conclusions
References

star, openThis paper is partly supported by the National Natural Science Foundation of China (10671086) and Shandong Natural Science Foundation of China (Y2005A12).


Corresponding Author Contact InformationCorresponding author at: Department of Mathematics, Linyi Normal University, Shandong 276005, China.

 
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