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Unified analytical evaluation of the two-center coulomb and hybrid integrals over slater-type orbitals

✍ Scribed by I. I. Guseinov

Publisher
John Wiley and Sons
Year
1987
Tongue
English
Weight
161 KB
Volume
31
Category
Article
ISSN
0020-7608

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📜 SIMILAR VOLUMES

Evaluation of two-center overlap and cou
Evaluation of two-center overlap and coulomb integrals derived from slater-type orbitals
✍ Herbert W. Jones 📂 Article 📅 1982 🏛 John Wiley and Sons 🌐 English ⚖ 416 KB

## Abstract The strategy for the evaluation of two‐center overlap and Coulomb integrals is illustrated by using computer‐generated formulas produced from 1s orbitals. There is no loss in generality as these formulas have the same structure for higher quantum numbers. For small parameter values, sin

Computer-generated formulas for two-cent
Computer-generated formulas for two-center coulomb integrals over slater‒ type orbitals
✍ Herbert W. Jones 📂 Article 📅 1981 🏛 John Wiley and Sons 🌐 English ⚖ 326 KB

## Abstract Formulas can be automatically generated for all two‐center Coulomb integrals over Slater‐type orbitals by means of the “__C__‐matrix” single‐center expansion method with use of “computer algebra.” The formula coefficients may be stored in two‐dimensional arrays.