Gaussian-orbital approximation for the hydrogen atom by minimization of variance

Marc Rendell, John Arents

Research output: Contribution to journalArticle

1 Citation (Scopus)

Abstract

The determination of an approximate wavefunction in the form ∑i=1 n Aiexp(-bir2), 1≤n≤10, by minimization of the variance, ∫|(H-E)ψ| 2dτ, is tested on the H atom. Obstacles to using other definitions of variance are discussed. Results are less favorable than those obtained by minimization of 〈H〉, but improve rapidly as n increases.

Original languageEnglish
Pages (from-to)5214-5222
Number of pages9
JournalJournal of Chemical Physics
StatePublished - 1968
Externally publishedYes

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Hydrogen
hydrogen atoms
orbitals
Atoms
optimization
Wave functions
approximation
atoms

All Science Journal Classification (ASJC) codes

  • Atomic and Molecular Physics, and Optics

Cite this

Gaussian-orbital approximation for the hydrogen atom by minimization of variance. / Rendell, Marc; Arents, John.

In: Journal of Chemical Physics, 1968, p. 5214-5222.

Research output: Contribution to journalArticle

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