• 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