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The generalized valence bond description of the low-lying states of ketene

โœ Scribed by Harding, Lawrence B.; Goddard, William A.

Book ID
127104239
Publisher
American Chemical Society
Year
1976
Tongue
English
Weight
690 KB
Volume
98
Category
Article
ISSN
0002-7863

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Generalized valence bond wavefunctions f
Generalized valence bond wavefunctions for the low lying states of methylene
โœ P.J. Hay; W.J. Hunt; W.A. Goddard III ๐Ÿ“‚ Article ๐Ÿ“… 1972 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 686 KB

Generalized valence bond (GVB) calculations are reported for the 3BI, 'Al, and 'El states of the CH2 molecule. The GVB method is discussed and compared with other multi<onfiguration and separated pati methods. The lowest singlet state ('A') is found to lie O-517 eV about tbc lowest triplet state (3B