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Moment characterization of localized orbitals

โœ Scribed by Ede Kapuy; Cornelia Kozmutza; Michael E. Stephens

Publisher
Springer
Year
1976
Tongue
English
Weight
423 KB
Volume
43
Category
Article
ISSN
1432-2234

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๐Ÿ“œ SIMILAR VOLUMES

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## Abstract __Ab initio__ doubleโ€zeta quality molecular orbital calculations have been carried out on an extensive series of tenโ€electron hydrides. The Edmistonโ€“Ruedenberg energyโ€localized molecular orbitals were calculated and the total molecular and localized orbital densities analyzed in terms o

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Continuous degeneracy of sets of localized HartreeแŽFock orbitals LMOs ## ลฝ . can occur only if an occupied set of degenerate canonical orbitals CMOs is mixed with other orbitals by the unitary localization transformation. Accordingly, at the nonrelativistic level, systems with electronic charge dis