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Lower and upper bounds of the energy spectrum for potentials with multiminima
Author(s) -
Žitňan Peter
Publication year - 1994
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560520603
Subject(s) - eigenvalues and eigenvectors , rayleigh–ritz method , mathematics , spectrum (functional analysis) , upper and lower bounds , schrödinger equation , spline (mechanical) , energy (signal processing) , domain (mathematical analysis) , mathematical analysis , energy spectrum , matrix (chemical analysis) , bound state , mathematical physics , physics , quantum mechanics , boundary value problem , chemistry , statistics , chromatography , thermodynamics
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.