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Formulas and numerical table for the radial part of overlap integrals with the same screening parameters of Slater-type orbitals

✍ Scribed by E. Öztekin; M. Yavuz; S. Atalay

Publisher
Springer
Year
2001
Tongue
English
Weight
127 KB
Volume
106
Category
Article
ISSN
1432-2234

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📜 SIMILAR VOLUMES

Exact formulas for overlap integrals of
Exact formulas for overlap integrals of Slater-type orbitals with equal screening constants
✍ Herbert W. Jones 📂 Article 📅 1981 🏛 John Wiley and Sons 🌐 English ⚖ 296 KB

## Abstract Exact formulas for 147 overlap integrals between Slater‐type orbitals with equal screening constants are presented in the most simplified form. This represents all combinations of orbitals with quantum numbers: 1 ≤ __N__ ≤ 5, 0 ≤ __L__ ≤ 3, and __M__ ≤ __L__. The formulas are automatica

On the evaluation of overlap integrals w
On the evaluation of overlap integrals with the same screening parameters of Slater-type orbitals using binomial coefficients
✍ I. I. Guseinov; Aslan İli˙k; S. I. Allahverdiyev 📂 Article 📅 1996 🏛 John Wiley and Sons 🌐 English ⚖ 196 KB 👁 2 views

A general formula has been established for the overlap integrals with the same screening parameters of Slater-type orbitals in terms of bionomial coefficients. The final results are especially useful for the calculation of these integrals for large quantum numbers, which occur in the multicenter int

Comprehensive strategy for the calculati
Comprehensive strategy for the calculation of overlap integrals with Slater-type orbitals
✍ Herbert W. Jones 📂 Article 📅 1997 🏛 John Wiley and Sons 🌐 English ⚖ 141 KB 👁 1 views

A strategy is presented for the calculation of two-center overlap integrals over Slater-type orbitals. Displaced orbitals are expanded in spherical harmonics with Lowdin ␣-functions äs coefficients. The exponentials in the ␣-functions are expanded, leading to representation in terms of stored E and