Electron correlation effects in position and momentum space: the atoms Li through Ar

Electron correlation effects on the electronic structure of atoms were investigated by means of a variety of position and momentum space related properties such as radial one-electron densities and radial electron momentum densities, Compton profiles and radial electron pair distributions. The resul...

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Bibliographic Details
Published inJournal of molecular structure. Theochem Vol. 360; no. 1; pp. 55 - 65
Main Authors Meyer, Hermann, Müller, Thomas, Schweig, Armin
Format Journal Article
LanguageEnglish
Published Elsevier B.V 05.01.1996
Subjects
Atoms
Electron correlation
Electron pair distributions
Momentum space properties
Position space properties
Atoms
Position space properties
Momentum space properties
Electron pair distributions
Electron correlation
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Summary:Electron correlation effects on the electronic structure of atoms were investigated by means of a variety of position and momentum space related properties such as radial one-electron densities and radial electron momentum densities, Compton profiles and radial electron pair distributions. The results were obtained from MR-SDCI wavefunctions utilizing very large basis sets and are discussed in a comparative manner, analysing characteristic features and trends.
ISSN:0166-1280
1872-7999
DOI:10.1016/0166-1280(95)04365-9