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A configuration interaction study of phosphine using bonded functions

โœ Scribed by James M. Scott; Brian T. Sutcliffe


Book ID
105106332
Publisher
Springer
Year
1976
Tongue
English
Weight
393 KB
Volume
41
Category
Article
ISSN
1432-2234

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Configuration interaction study of H2 us
โœ J.C. Leclerc ๐Ÿ“‚ Article ๐Ÿ“… 1974 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 153 KB

k non-standard Is basis function, x = (1 +mT) exp(-@), is usecl to approximate the ground state of,the hydrogen molecule in a configuration interaction fra.mework and using numerical %tegration over hlO's.Results are compared to the traditional Is STO. The'kuracy of quadrature techniques as an alter