New version of the Rayleigh-Schrödinger perturbation theory: Examples

It has been shown in our preceding papers that the linear dependence of the perturbation wave functions on the perturbation energies makes possible to calculate the exact perturbation energies from the values of the perturbation wave functions corresponding to arbitrarily chosen trial perturbation e...

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Bibliographic Details
Published inInternational journal of quantum chemistry Vol. 99; no. 4; pp. 325 - 335
Main Authors Kalhous, Miloš, Skála, L., Zamastil, J., Čížek, J.
Format Journal Article
LanguageEnglish
Published New York John Wiley & Sons, Inc 15.09.2004
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Summary:It has been shown in our preceding papers that the linear dependence of the perturbation wave functions on the perturbation energies makes possible to calculate the exact perturbation energies from the values of the perturbation wave functions corresponding to arbitrarily chosen trial perturbation energies. The resulting version of the perturbation theory is very simple and can be used at large orders. In this paper, this method is applied to a few problems and its numerical properties are discussed. © 2004 Wiley Periodicals, Inc. Int J Quantum Chem, 2004
Bibliography:NSERC
GA C.R. - No. 202/00/1026
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GA U.K. - No. 166/00
istex:331A9BD0CFD4D3BA6C18AAF881B4172529032209
ArticleID:QUA20041
ISSN:0020-7608
1097-461X
DOI:10.1002/qua.20041