[Wien] correlated orbitals

Amene Nouri a.nourmohammadi at yahoo.com
Fri May 28 20:32:28 CEST 2010


Hello wien2k users
I've some questions about correlated orbitals.
Do correlated orbitals in LDA+U and EECE have same definition?
If these orbitals are predefined as has mentioned in the article " Exact exchange for correlated electrons" by Dr.Novak, what are we doing so? Is not the purpose of LDA+U and EECE better description of correlated orbitals f and d?
Thanks in advance


      
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