Symmetry property of Löwdin's “alpha” function
✍ Scribed by M. H. De A. Viccaro
- Book ID
- 104578908
- Publisher
- John Wiley and Sons
- Year
- 1976
- Tongue
- English
- Weight
- 85 KB
- Volume
- 10
- 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
## Abstract Addition and subtraction operators defined on some subspaces of the full CI space are introduced. It is shown that the effect of these operators on Löwdin many‐electron wave functions consists in adding or removing an electron without destroying spin symmetry. Upward and downward recurr