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Lower and upper bounds of the energy spectrum for potentials with multiminima (1994)

Žitňan, Peter

New York, NY : Wiley-Blackwell

International Journal of Quantum Chemistry 52 (1994), S. 1267-1271

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ISSN: 0020-7608

Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics

Source: Wiley InterScience Backfile Collection 1832-2000

Topics: Chemistry and Pharmacology

Notes: An extended Rayleigh-Ritz method for computing two-sided eigenvalue bounds of the one-dimensional Schrödinger equation without using a complementary method is presented. The method is based on the B-spline approximation over the truncated domain, which results in a generalized banded matrix eigenvalue problem. Numerical results for two multiminima potentials of different natures are presented. © 1994 John Wiley & Sons, Inc.

Additional Material: 3 Tab.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1002/qua.560520603

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