The shift operator technique is used for deriving, in a unified manner, the master formulas for the four-center repulsion integrals involving Gaussian (GTO), Slater (STO), and Bessel (BTO) basis functions. Moreover, for the two classes of exponential-type functions (ETO), i.e., STO and BTO, we give
Exponential integrability of sub-Gaussian vectors
✍ Scribed by Ryoji Fukuda
- Publisher
- Springer
- Year
- 1990
- Tongue
- English
- Weight
- 679 KB
- Volume
- 85
- Category
- Article
- ISSN
- 1432-2064
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📜 SIMILAR VOLUMES
Basis functions with arbitrary quantum numbers can be attained from those with the lowest numbers by applying shift operators. We derive the general expressions and the recurrence relations of these operators for Cartesian basis sets with Gaussian and exponential radial factors. In correspondence, t
## Abstract A six‐term auxiliary integral expression for the two‐electron Gaussian integral is derived on the basis of the Chebyshev polynomial approximation instead of the seven‐term Taylor expansion. This expression and the related recurrence formula enable us to perform a high‐speed calculation