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Electronic Structure and Bonding of the Ground State of Alkaline-Earth-Metal Monoxides and Carbides

โœ Scribed by Fuentealba, P.; Savin, A.

Book ID
127253191
Publisher
American Chemical Society
Year
2000
Tongue
English
Weight
158 KB
Volume
104
Category
Article
ISSN
1089-5639

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Extended basis set calculations have been performed for the ground state of 0.12 using CI(SD) and the coupled pair functional (CPF) method, a size-consistent moditication of CI(SD). Special emphasis is ,&en to the discussion of (lj Scis saturation effects (up to g functions were included). a) effect