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Compact formula for Coulomb integrals of Slater orbitals

✍ Scribed by A. F. Shestakov

Publisher
SP MAIK Nauka/Interperiodica
Year
1992
Tongue
English
Weight
204 KB
Volume
33
Category
Article
ISSN
0022-4766

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📜 SIMILAR VOLUMES

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.

Computer-generated formulas for overlap
Computer-generated formulas for overlap integrals of slater-type orbitals
✍ Herbert W. Jones 📂 Article 📅 1980 🏛 John Wiley and Sons 🌐 English ⚖ 217 KB

## Abstract Using a modified form of Sharma's method for the expansion of a Slater‐type orbital in spherical harmonics about a displaced center, a general expression for the overlap integral between two orbitals is derived that is equivalent to that given by Sharma. By use of a simple kind of “comp

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