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Computation of multicenter overlap integrals with Slater-type orbitals using Ψα-ETOs

✍ Scribed by Israfil Guseinov; Ramazan Aydın; Bahtiyar Mamedov


Book ID
106239485
Publisher
Springer-Verlag
Year
2003
Tongue
English
Weight
203 KB
Volume
9
Category
Article
ISSN
1610-2940

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Computation of overlap integrals over Sl
✍ I. I. Guseinov; A. Özmen; Ü. Atav; H. Yüksel 📂 Article 📅 1998 🏛 John Wiley and Sons 🌐 English ⚖ 153 KB 👁 1 views

Analytical expressions through the binomial coefficients and recursive relations are derived for the expansion coefficients of overlap integrals in terms of a product of well-known auxiliary functions A and B . These formulas are especially k k useful for the calculation of overlap integrals for lar