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Approximation methods for calculation of integrals containing the two-center distribution < ϕa′ϕb|

✍ Scribed by A. P. Klyagina; M. E. Dyatkina; N. P. Bobrysheva


Publisher
SP MAIK Nauka/Interperiodica
Year
1970
Tongue
English
Weight
256 KB
Volume
11
Category
Article
ISSN
0022-4766

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On the calculation of arbitrary multiele
✍ I. I. Guseinov; B. A. Mamedov 📂 Article 📅 2000 🏛 John Wiley and Sons 🌐 English ⚖ 186 KB 👁 2 views

Using expansion formulas for the charge-density over Slater-type orbitals (STOs) obtained by the one of authors [I. I. Guseinov, J Mol Struct (Theochem) 1997, 417, 117] the multicenter molecular integrals with an arbitrary multielectron operator are expressed in terms of the overlap integrals with t