[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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20161214/371af3be/attachment-0001.html>


More information about the Wien mailing list