Dear Developers and Users, I need some guidance. I understand that in gga/lda the Kohn-Sham eigenstates are regarded as excited only when the scissors operator is non zero, is this correct? If yes then how valid is optical calculation when the scissors operator is set to zero? If no then what bring about the optical excitations that allow determination of some optical properties?
Thanks in advance.... With Kind regards Lawal Mohammed
_______________________________________________ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://firstname.lastname@example.org/index.html