SIC for delocalized unpaired electron

Xiaoming Wang wxia... at
Fri Dec 15 21:02:52 UTC 2017

I find the answer. SIC for delocalized electron is zero. Self-Interaction 
Correction in Density Functional Theory: The Road Less Traveled. Mark R. 
Pederson and John P. PerdeW.

On Saturday, December 2, 2017 at 7:57:59 PM UTC-5, Xiaoming Wang wrote:
> Hi all,
> I have a general question. If the unpaired electron is imposed to be 
> delocalized, would the SIC effect be zero with the method of MAURI_SPZ and 
> Best,
> Xiaoming
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