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Contribution to the semi-empirical calculation of electronic correlation hypersurfaces

โœ Scribed by B. Moreau; M. Sana; G. Leroy; J. Lievin


Book ID
119116114
Publisher
Elsevier Science
Year
1984
Tongue
English
Weight
218 KB
Volume
107
Category
Article
ISSN
0166-1280

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A'derivation for the "half electron method" is given. The half electron method is equivalent to CL closed shell calculation of a rndical dimer linked by nn infinitely long bond with inclusion of the configuration interaction with the doubly excited degenerate state. The dissociation process of ethan