Explicitly Correlated Electrons in Molecules

Explicitly Correlated Electrons in Molecules

An examination of the explicitly correlated electrons in molecules within the field of early quantum mechanics is presented. When researchers attempted to calculate the accurate structure of electons, they found that Hy-Cl and Hylleraas-type wave functions were instrumental in helping them in this e...

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Bibliographic Details
Published in:Chemical reviews Vol. 112; no. 1; pp. 4 - 74
Main Authors: Hättig, Christof, Klopper, Wim, Köhn, Andreas, Tew, David P
Format: Journal Article
Language:English
Published: United States American Chemical Society 11-01-2012
Subjects:
Correlation
Electrons
Mathematical analysis
Molecular chemistry
Molecular physics
Quantum mechanics
Quantum physics
Wave functions
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Summary:An examination of the explicitly correlated electrons in molecules within the field of early quantum mechanics is presented. When researchers attempted to calculate the accurate structure of electons, they found that Hy-Cl and Hylleraas-type wave functions were instrumental in helping them in this endeavor.
Bibliography:ObjectType-Article-1
SourceType-Scholarly Journals-1
ObjectType-Feature-2
content type line 23
ISSN:0009-2665
1520-6890
DOI:10.1021/cr200168z