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Analytical calculation of two-center integrals and three-center integrals for attraction to a nucleus with orbitals of the slater type in the molecular system of coordinates

โœ Scribed by I. I. Guseinov

Publisher
SP MAIK Nauka/Interperiodica
Year
1978
Tongue
English
Weight
192 KB
Volume
19
Category
Article
ISSN
0022-4766

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Calculation of the one-electron two-cent
Calculation of the one-electron two-center integrals over Slater-type orbitals by means of the ellipsoidal coordinates method
โœ Sidi Mohamed Mekelleche; Abdellatif Baba-Ahmed ๐Ÿ“‚ Article ๐Ÿ“… 1997 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 180 KB ๐Ÿ‘ 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