[Wien] Coupling and atomic correction energies for lanthenides

[Subhra Kulshrestha]

Dear users,

I am doing some calculations for band structure of lanthenide compounds (bulk) in divalent and trivalent states.  I would like to obtain the value of coupling energies within the 4f shell and between this shell and 5d shell..  Is it already included in the total energy ?  If 'YES', where can I get these (coupling and atomic correction energies ?

Thanks,

Subhra Kulshrestha
Senior Research Fellow(CSIR), Condensed Matter Theory Group
School of Studies in Physics, Jiwaji University
Gwalior 474011  (M.P.) INDIA



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