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On the use of the formalism of separated pair theory in the method of alternant molecular orbitals

โœ Scribed by E. Kapuy


Book ID
113000163
Publisher
Springer-Verlag
Year
1968
Weight
107 KB
Volume
24
Category
Article
ISSN
0001-6705

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The application of the alternant molecul
โœ R. Pauncz ๐Ÿ“‚ Article ๐Ÿ“… 1963 ๐Ÿ› Elsevier Science ๐ŸŒ French โš– 457 KB

The alternant molecular orbital method is a device for taking into account the horizontal correlation among electrons posessing different spins. A comparison with the configurationinteraction treatment suggests that in the case of aromatic hydrocarbons the method can yield reliable results only if t