[Wien] Russell-Saunders or jj coupling

[Gerhard Fecher]

Most probably you missed the difference between spin orbit interaction in the single particle description as a result of the Dirac equation
and the spin orbit (e.g. LS) coupling used in many electron approaches.
Unfortunately, the wording is sometimes ambiguous.

Ciao
Gerhard

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Dr. Gerhard H. Fecher
Institut of Inorganic and Analytical Chemistry
Johannes Gutenberg - University
55099 Mainz
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Von: wien-bounces at zeus.theochem.tuwien.ac.at [wien-bounces at zeus.theochem.tuwien.ac.at] im Auftrag von John Appleton [banger_deep at yahoo.com]
Gesendet: Mittwoch, 21. Januar 2009 18:48
An: wien at zeus.theochem.tuwien.ac.at
Betreff: [Wien] Russell-Saunders or jj coupling

Dear Prof. Blaha,
I would like to ask a question which has been bothering me for some time. Does the WIEN2k second variational treatment of spin-orbit coupling correspond to Russell-Saunders, jj, or an intermediate coupling scheme?
Thank you