A computational form for löwdin's alpha function
✍ Scribed by K. J. Duff
- Book ID
- 104577835
- Publisher
- John Wiley and Sons
- Year
- 1971
- Tongue
- English
- Weight
- 102 KB
- Volume
- 5
- Category
- Article
- ISSN
- 0020-7608
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
Using the Lowdin alpha-function method in which displaced orbitals are expanded in spherical harmonics, two-center, two-electron repulsion integrals of the Coulomb, hybrid, and exchange type are done analytically using Slater-type orbitals. Computer algebra and integer arithmetic are used to obtain
## Abstract Löwdin has formulated a useful criterion for testing the completeness of an expansion basis set. From this criterion one may obtain an __incompleteness coefficient__ for a truncated (finite) basis set. We have investigated the significance of this incompleteness coefficient for some of