| 7:56:19 PM PDT - Thu, Jul 17th 2014 |
|
Thank you for an exhaustive answer.
I still am curious: Since you eliminate self-interaction from an arbitrary functional with the use of OEP, presumably, in some form you calculate OEP. Cannot this be used for a pure OEP calculation regardless of SIC?
More technically (and probably naive): Is not a combination of
xc SOME_X WEIGHT
sic oep
equivalent to just using OEP? I, however, have tried
xc slater 0.0
sic oep
and it doesn't work for this purpose. Many thanks for elucidating this!
Vladimir.
|