Fast Computation of the Slater Integrals
✍ Scribed by Ixaru, L. Gr.; Scott, N.‐S.; Scott, M. P.
- Book ID
- 118190937
- Publisher
- Society for Industrial and Applied Mathematics
- Year
- 2006
- Tongue
- English
- Weight
- 279 KB
- Volume
- 28
- Category
- Article
- ISSN
- 1064-8275
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
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
Multicenter electron-repulsion integrals are calculated using auxiliary functions and two kinds of translation formulas for Slater-type orbitals (STOs) obtained from the expansion of STOs, in terms of exponential-type orbitals at a displaced center, that form complete orthonormal sets and are repres