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Highly correlated systems. Structure and harmonic force field of F2O2

โœ Scribed by Krishnan Raghavachari; Gary W. Trucks


Book ID
107734459
Publisher
Elsevier Science
Year
1989
Tongue
English
Weight
573 KB
Volume
162
Category
Article
ISSN
0009-2614

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Highly correlated systems: Structure, bi
โœ Krishnan Raghavachari; Gary W. Trucks; John A. Pople; Eric Replogle ๐Ÿ“‚ Article ๐Ÿ“… 1989 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 514 KB

The structure, binding energy and harmonic vibrational frequencies of 0, are calculated using the quadratic configuration interaction (QCI) method with a variety ofbasis sets. This method reproduces the geometry and vibrational frequencies ofozone fairly accurateiy using both restricted (RHF) and un