On the G matrix elements of M(XY)6 molecules
β Scribed by Vincenzo Caglioti; Guido Sartori; Claudio Furlani
- Publisher
- Elsevier Science
- Year
- 1962
- Tongue
- English
- Weight
- 44 KB
- Volume
- 9
- Category
- Article
- ISSN
- 0022-2852
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π SIMILAR VOLUMES
The problem of the computation of the matrix elements Z ( v , v ' ; k ) = [ q U ( r ) ( r -rJkqUr(r)dr, is considered when q u ( r ) and q J r ) are eigenfunctions related to a diatomic potential of the RKR type (defined by the coordinates of its turning points Pi with polynomial interpolations). Th
In the present article, we outline a simple scheme for generating configuration interaction matrix elements for spinαorbit interactions in molecules. The procedure leads to a close parallelism with spin-free permutation-group approaches. Unitary shift operators were successfully used on the orbital