Lie algebras in quantum chemistry: Symmetrized orbitals
✍ Scribed by B. G. Wybourne
- Publisher
- John Wiley and Sons
- Year
- 1973
- Tongue
- English
- Weight
- 946 KB
- Volume
- 7
- Category
- Article
- ISSN
- 0020-7608
No coin nor oath required. For personal study only.
✦ Synopsis
Abstract
The application of Lie algebras in quantum chemistry is considered. Particular attention is devoted to their application to high symmetry problems especially where icosahedral symmetry prevails. A general programme for implementing the theory of Lie algebras in the analysis of symmetry problems is outlined.
📜 SIMILAR VOLUMES
A general scheme to symmetrize a broken symmetry wave function is described. It offers great flexibility in the choice of the set of functions used to expand the symmetrized functions. The traditional symmetrization approaches are related to some particular choices of these functions. New choices ar
The program SCHOONSCHIP is used to evaluate fermion expectation values in quantum chemistry. Some remarks are made from experiences with the program.