[Wien] spin orbit coupling

[Gerhard Fecher]

you do not set a direction for the magnetisation, SO does not need a magnetization it emerges from the coupling of the large and small components of the Dirac equation,
you select a quantization axis.


Ciao
Gerhard

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Dr. Gerhard H. Fecher
Institut of Inorganic and Analytical Chemistry
Johannes Gutenberg - University
55099 Mainz
________________________________________
Von: wien-bounces at zeus.theochem.tuwien.ac.at [wien-bounces at zeus.theochem.tuwien.ac.at] im Auftrag von shamik chakrabarti [shamikphy at gmail.com]
Gesendet: Sonntag, 4. April 2010 06:51
An: A Mailing list for WIEN2k users
Betreff: [Wien] spin orbit coupling

Dear Wien2k users,

                            I have a basic question regarding spin-orbit coupling. To implement this we set the magnetization direction (say 001) in case .inso. My question is which magnetization is this corresponds to?

as far as I know spin-orbit spliiting occure in the core states due to the interaction of magnetic field felt by electron in its rest frame (due to nucleus electric field and electron motion) and the spin magnetic moment of the electron. Any response will be appreciated. Thank you in advance.

with regards,

Shamik Chakrabarti