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An orthogonal approach to determine extremely localised molecular orbitals

✍ Scribed by Maurizio Sironi; Antonino Famulari

Book ID
105887389
Publisher
Springer
Year
2000
Tongue
English
Weight
216 KB
Volume
103
Category
Article
ISSN
1432-2234

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πŸ“œ SIMILAR VOLUMES

Study of localized molecular orbitals us
Study of localized molecular orbitals using group theory methods and its approach to the many-electron correlation problem. III. Orthogonal bonded functions
✍ Taijin Zhou πŸ“‚ Article πŸ“… 1993 πŸ› John Wiley and Sons 🌐 English βš– 627 KB

using the group symmetrical localized molecular orbitals (SLhfOs) as configuration-generating orbitals (CGOs) of many-electron wave functions, the symmetry adaptation of many-electron spaces is greatly simplified, and novel orthogonal bonded functions (OBFs), as complete space-and spin-adapted antis