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Calculation of a three-center one-electron integral in slater orbitals with different exponents

✍ Scribed by L. V. Artamonov; A. M. Grekhov; A. B. Roitsin

Book ID
112359911
Publisher
Springer
Year
1978
Tongue
English
Weight
174 KB
Volume
13
Category
Article
ISSN
0040-5760

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Calculation of the one-electron two-cent
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✍ 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