Unitary group approach to the many-electron problem. III. Matrix elements of spin-dependent Hamiltonians
โ Scribed by M. D. Gould; G. S. Chandler
- Publisher
- John Wiley and Sons
- Year
- 1984
- Tongue
- English
- Weight
- 874 KB
- Volume
- 25
- Category
- Article
- ISSN
- 0020-7608
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
Group theoretic methods are presented for the transformations of integrals and the evaluation of matrix elements encountered in multiconfigurational self-consistent field (MCSCF) and configuration interaction (CI) calculations. The method has the advantages of needing only to deal with a symmetry un
using the group symmetrical localized molecular orbitals (SLhfOs) as configuration-generating orbitals (CGOs) of many-electron wave functions, the symmetry adaptation of many-electron spaces is greatly simplified, and novel orthogonal bonded functions (OBFs), as complete space-and spin-adapted antis