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Extremely compact formulas for molecular two-center one-electron integrals and Coulomb integrals over Slater-type atomic orbitals

✍ Scribed by Filter, Eckhard; Steinborn, E.

Book ID
111859554
Publisher
The American Physical Society
Year
1978
Tongue
English
Weight
705 KB
Volume
18
Category
Article
ISSN
1050-2947

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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 some thr
Computer-generated formulas for some three-center molecular integrals over Slater-type orbitals
✍ Herbert W. Jones 📂 Article 📅 1983 🏛 John Wiley and Sons 🌐 English ⚖ 187 KB

## Abstract Exact computer‐generated formulas can be produced for each term of an infinite series that gives the value of three‐center Coulomb integrals over Slater‐type orbitals of the __s__‐type with equal screening constants. As a specific example, the Coulomb energy of an equilateral triangular