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A new version of AAKL (the matrix elements of spin-orbit interaction) adapted to spectroscopic notation

✍ Scribed by K.M.S. Saxena

Publisher
Elsevier Science
Year
1984
Tongue
English
Weight
47 KB
Volume
35
Category
Article
ISSN
0010-4655

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πŸ“œ SIMILAR VOLUMES

On the evaluation of spin–orbit coupling
On the evaluation of spin–orbit coupling matrix elements in a spin-adapted basis
✍ Thomas La Cour Jansen; Sten Rettrup; C. R. Sarma; Jaap G. Snijders; Paolo Palmie πŸ“‚ Article πŸ“… 1999 πŸ› John Wiley and Sons 🌐 English βš– 240 KB πŸ‘ 2 views

In the present article, we outline a simple scheme for generating configuration interaction matrix elements for spin᎐orbit 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