fractional number of electrons with HF

Click here for full thread

Clicked A Few Times

7:54:55 PM PDT - Wed, Jul 16th 2014
I am sorry for possibly not clearly stating my problem. My problem IS NOT to correct some not self-interaction free xc functional with the use of OEP. It rather is to carry out calculations with OEP, which is known to be self-interaction free. Does NWChem allow this? Thank you very much. Vladimir.