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Orthonormalization and symmetry adaptation of crystal orbitals

✍ Scribed by Jean-Louis Calais


Publisher
John Wiley and Sons
Year
2009
Tongue
English
Weight
477 KB
Volume
28
Category
Article
ISSN
0020-7608

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πŸ“œ SIMILAR VOLUMES


On the defects of molecular symmetry-lob
✍ H. Le Rouzo πŸ“‚ Article πŸ“… 1978 πŸ› John Wiley and Sons 🌐 English βš– 300 KB

## Abstract It is proved that two molecular symmetry‐lobe orbitals, belonging to different irreducible representations, can have a non‐negligible overlap. Using a previously reported multipolar analysis of Gaussian‐lobe orbitals (GLOs), it is demonstrated that such defects occur when individual sym