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Sinc collocation in quantum chemistry: Solving the planar coulomb Schrödinger equation (1996)

Koures, Vasilios G. ; Harris, Frank E.

New York, NY : Wiley-Blackwell

International Journal of Quantum Chemistry 60 (1996), S. 1311-1318

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Details

ISSN: 0020-7608

Schlagwort(e): Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics

Quelle: Wiley InterScience Backfile Collection 1832-2000

Thema: Chemie und Pharmazie

Notizen: Dirac bra-ket notation is introduced for the Whittaker cardinal (Sinc) functions and a previously unreported completeness relation for these quantities is presented and derived. With the use of this completeness relation it becomes simple to transform to a Sinc-basis the eigenvalue equations arising from a light-cone quantization of field theory or the similar equations occurring in nonrelativistic quantum mechanics. The simplicity and power of Sinc-function expansions is illustrated by computation of the eigenvalues and eigenfunctions of the position-space planar Coulomb equation, a problem for which convergence has not been achieved by a variety of other computational methods. © 1996 John Wiley & Sons, Inc.

Zusätzliches Material: 6 Ill.

Materialart: Digitale Medien

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