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Transformation matrices for the rotation of real p, d, and f atomic orbitals

✍ Scribed by Robin P. Sherman; Roger Grinter

Book ID
119116560
Publisher
Elsevier Science
Year
1986
Tongue
English
Weight
389 KB
Volume
135
Category
Article
ISSN
0166-1280

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πŸ“œ SIMILAR VOLUMES

General expressions for monocenter repul
General expressions for monocenter repulsion integrals in a basis of real atomic orbitals
✍ 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