The local PBE0 approximation
Posted: Sun Aug 21, 2011 4:32 pm
Only L=2 or L=3 cases are realized.
It would be very interesting to have a possibility
to apply L=0 or L=1 for s- or p-states, e.g., to apply
the exact exchange functional in case of s- or p-elements.
It would be very interesting to have a possibility
to apply L=0 or L=1 for s- or p-states, e.g., to apply
the exact exchange functional in case of s- or p-elements.