On the approximate calculation of eigenfunctions

B. F. Gray

Research output: Contribution to journalArticleResearchpeer-review

Abstract

A method is given for determining the variable parameters in a trial wave function which is independent of the minimum energy criterion. The energy is given as the root of a secular equation, but the value obtained may be above or below the true value. It is shown that the results of the method approach those of the standard one as the trial function becomes a better approximation to the true one, by applying it to the series of two-electron ions.

LanguageEnglish
Pages1246-1247
Number of pages2
JournalThe Journal of Chemical Physics
Volume29
Issue number6
Publication statusPublished - 1958
Externally publishedYes

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Wave functions
Eigenvalues and eigenfunctions
eigenvectors
Ions
Electrons
wave functions
energy
approximation
ions
electrons

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Gray, B. F. / On the approximate calculation of eigenfunctions. In: The Journal of Chemical Physics. 1958 ; Vol. 29, No. 6. pp. 1246-1247.
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On the approximate calculation of eigenfunctions. / Gray, B. F.

In: The Journal of Chemical Physics, Vol. 29, No. 6, 1958, p. 1246-1247.

Research output: Contribution to journalArticleResearchpeer-review

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