On the approximate calculation of eigenvalues with special reference to the helium atom

B. F. Gray

Research output: Contribution to journalArticleResearchpeer-review

Abstract

A method is developed for treating the error in the energy of a variation function as a perturbation, the variation function serving to describe the "unperturbed state." An effective potential is defined from the variation function, and comparison of this with the correct potential for the helium atom gives useful information about the behavior of the variation functions as the electronic separation approaches zero. In the second section, iterative methods of improving a variational wave function without increasing the number of parameters are discussed and the conditions under which they will be applicable are examined.

LanguageEnglish
Pages272-275
Number of pages4
JournalThe Journal of Chemical Physics
Volume29
Issue number2
Publication statusPublished - 1958
Externally publishedYes

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Helium
helium atoms
eigenvalues
Atoms
Wave functions
Iterative methods
wave functions
perturbation
electronics
energy

Cite this

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On the approximate calculation of eigenvalues with special reference to the helium atom. / Gray, B. F.

In: The Journal of Chemical Physics, Vol. 29, No. 2, 1958, p. 272-275.

Research output: Contribution to journalArticleResearchpeer-review

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