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An application of correlation energy density functionals to atoms and molecules

โœ Scribed by A. Savin; H. Stoll; H. Preuss


Publisher
Springer
Year
1986
Tongue
English
Weight
578 KB
Volume
70
Category
Article
ISSN
1432-2234

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In part I of this series, self-consistent calculations using two-body density functionals for correlation energy were done and applied to atomic systems, giving very good results. We now apply the same scheme to small ลฝ molecules. The examples studied include diatomic H , Li , B , C , N , O , F , 2