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General expressions for three-centre integrals in crystals

✍ Scribed by F. Casula


Book ID
112835730
Publisher
Springer-Verlag,Italian Physical Society
Year
1976
Weight
639 KB
Volume
32
Category
Article
ISSN
0369-3554

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πŸ“œ SIMILAR VOLUMES


General expressions for monocenter repul
✍ J. P. FranΓ§ois; R. Voets; L. C. Van Poucke πŸ“‚ Article πŸ“… 1985 πŸ› John Wiley and Sons 🌐 English βš– 390 KB

General expressions for monocenter electron repulsion integrals in a basis of real atomic orbitals are derived in terms of the radial integrals R L. The final expressions for these integrals can be classified into five main classes which are characterized by the angular part of the real atomic orbit