DocumentCode
816769
Title
The right angle: precise numerical orthogonality in eigenstates
Author
Noble, J.V.
Author_Institution
Dept. of Phys., Virginia Univ., Charlottesville, VA
Volume
4
Issue
5
fYear
2002
Firstpage
91
Lastpage
97
Abstract
Solutions of the Schrodinger equation that pertain to different energies are orthogonal by virtue of quantum dynamics. However, when we obtain such solutions numerically using library differential equation solvers, and when the inner product is defined by numerical quadrature, the result is not sufficiently orthogonal for certain purposes. This paper shows how to construct stable finite-difference schemes that preserve accurate numerical orthogonality of the solutions.
Keywords
Schrodinger equation; eigenvalues and eigenfunctions; finite difference methods; wave functions; Schrodinger equation; eigenstates; library differential equation solvers; numerical quadrature; precise numerical orthogonality; quantum dynamics; stable finite-difference schemes; Absorption; Electrons; Mesons; Photovoltaic effects; Probes; Quantum mechanics; Radiofrequency interference; Vacuum systems; Wave functions;
fLanguage
English
Journal_Title
Computing in Science & Engineering
Publisher
ieee
ISSN
1521-9615
Type
jour
DOI
10.1109/MCISE.2002.1032435
Filename
1032435
Link To Document