Visualization of electron correlation in ground states of He and H

For the ground states of He and H −, conditional probability densities d( r 2,θ 12 r 1) for finding two electrons in different relative positions have been calculated for several wavefunctions including simple one-configuration wavefunctions and Hylleraas—Kinoshita type functions. The calculations,...

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Bibliographic Details
Published in:Chemical physics letters 1978-10, Vol.58 (3), p.321-325
Main Authors: Rehmus, Paul, Roothaan, Clemens C.J., Stephen Berry, R.
Format: Article
Language:English
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Summary:For the ground states of He and H −, conditional probability densities d( r 2,θ 12 r 1) for finding two electrons in different relative positions have been calculated for several wavefunctions including simple one-configuration wavefunctions and Hylleraas—Kinoshita type functions. The calculations, including graphing, were all carried out on a desktop computing calculator.
ISSN:0009-2614
1873-4448
DOI:10.1016/0009-2614(78)85045-3