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Molecular one-electron integrals over slater-type atomic orbitals and irregular solid spherical harmonics

✍ Scribed by E. Otto Steinborn; Klaus Ruedenberg


Publisher
John Wiley and Sons
Year
1972
Tongue
English
Weight
884 KB
Volume
6
Category
Article
ISSN
0020-7608

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Calculation of the one-electron two-cent
✍ Sidi Mohamed Mekelleche; Abdellatif Baba-Ahmed πŸ“‚ Article πŸ“… 1997 πŸ› John Wiley and Sons 🌐 English βš– 180 KB πŸ‘ 1 views

A method for the calculation of one-electron two-center integrals is described. Using an ellipsoidal coordinate system, both the overlap, kinetic energy, and nuclear attraction integrals are expressed in terms of the so-called sigma function w introduced by Baba-Ahmed et al. A. Baba-Ahmed and J. Gay