[Wien] The self-interaction-correction still exists for U=0
Abderrahmane Reggad
jazairdz at gmail.com
Wed Dec 14 12:19:17 CET 2016
Dear wien users
I have some queries about the LDA+U method of Anisimov
1- Is the SIC version of LDA+U method the only one put by Anisimov ?
because there are many works of Anisimov where there is no indication for
the version of LDA+U method.
2- If we put U=0 , the self-interaction correction still exists
For me , I believe it still exists but I need confirmation
3 - Self-interacation correction is made for correlation or exchange
intercation ?
Best regards
--
Mr: A.Reggad
Laboratoire de Génie Physique
Université Ibn Khaldoun - Tiaret
Adresse: BP 144 AL ATTAF AIN DEFLA
Tel: +213(0)561861963
Algerie
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