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On the auxiliary functions Ḡq−NNʹ for calculation of multicenter integrals over Slater-type orbitals

✍ Scribed by Guseinov, I. I.


Book ID
120647172
Publisher
American Institute of Physics
Year
1983
Tongue
English
Weight
451 KB
Volume
78
Category
Article
ISSN
0021-9606

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Symbolic calculation of auxiliary functi
✍ Michael P. Barnett 📂 Article 📅 2000 🏛 John Wiley and Sons 🌐 English ⚖ 211 KB 👁 1 views

Symbolic calculation is applied to the evaluation of molecular integrals over Slater orbitals (STOs). A recurrence scheme is developed for some new auxiliary functions that facilitate this work. Closed expressions are developed independently for use in spot checks. A table of formulas for the indivi