[Wien] What's the difference between the spin-polarized and the non spin-polarized calculations

[Abderrahmane Reggad]

Thank you Dr Gavin and Dr Gerhard for your answers. The were really very
fruitful for me.

We can consider that the non spin-polarized is a special case of the
spin-polarized case. therefore we can use the equations  of the general
case to get the equations of the special case.

So we can make B_eff = 0 to get the non-polarized case, and the results
will be different as the energies.

another question: How can explain that at the level of the paired and
unpaired electrons?

Will we force the unpaired electrons to be paired one or something other ?

Thank you for your interesting

-- 
Mr: A.Reggad
Laboratoire de Génie Physique
Université Ibn Khaldoun - Tiaret
Algerie
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