Approximate formulas for calculating integral creep operators
β Scribed by A. M. Shengelaya; I. E. Troyanovskii; M. A. Koltunov
- Publisher
- Springer US
- Year
- 1974
- Tongue
- English
- Weight
- 182 KB
- Volume
- 8
- Category
- Article
- ISSN
- 1573-8922
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
Multi-( Slater-type orbitals are frequently used in molecular orbital calculations. Master formulae and numerical tables are available in literature for overlap integrals between s, p , and d atomic orbitals up to principal quantum number (n) = 3 and for some other selected quantum numbers. However,
Three-center approximations to the four-center integrals occurring in ab initio LCAO calculations are investigated. It is shown that significant gains in computer time can be obtained without sacrificing accuracy, if a suitable expansion basis is chosen.