Analytical expressions through the binomial coefficients and recursive relations are derived for the expansion coefficients of overlap integrals in terms of a product of well-known auxiliary functions A and B . These formulas are especially k k useful for the calculation of overlap integrals for lar
✦ LIBER ✦
Calculation of overlap integrals over Slater-type spinor orbitals of arbitrary half-integral spin using auxiliary functions
✍ Scribed by Guseinov, I.I.; Aydın, R.; Bağcı, A.
- Book ID
- 120619576
- Publisher
- Taylor and Francis Group
- Year
- 2012
- Tongue
- English
- Weight
- 122 KB
- Volume
- 92
- Category
- Article
- ISSN
- 1478-6435
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
Computation of overlap integrals over Sl
✍
I. I. Guseinov; A. Özmen; Ü. Atav; H. Yüksel
📂
Article
📅
1998
🏛
John Wiley and Sons
🌐
English
⚖ 153 KB
👁 1 views
Computation of molecular integrals over
✍
I.I. Guseinov; B.A. Mamedov
📂
Article
📅
2000
🏛
Elsevier Science
🌐
English
⚖ 120 KB
Evaluation of the auxiliary function({G_
✍
I. I. Guseinov; B. A. Mamedov
📂
Article
📅
2008
🏛
Springer
🌐
English
⚖ 134 KB
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
On the auxiliary functions Ḡq−NNʹ for c
✍
Guseinov, I. I.
📂
Article
📅
1983
🏛
American Institute of Physics
🌐
English
⚖ 451 KB
Computation of molecular integrals over
✍
I.I. Guseinov; B.A. Mamedov
📂
Article
📅
1999
🏛
Elsevier Science
🌐
English
⚖ 91 KB