DFT

Peter REINHARDT reinh at lct.jussieu.fr
Fri Mar 12 08:12:24 GMT 2004


Well, excuse me for writing again, I think the RKS energy is correct
and the SCF exchange is included with the factor 0.2 in the 2-el energy.
Is that true?

Yours,
   Peter Reinhardt




More information about the Molpro-user mailing list