The local PBE0 approximation

Total energy, geometry optimization, DFT+U, spin....

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Steve
Posts: 22
Joined: Tue Feb 08, 2011 8:48 pm

The local PBE0 approximation

Post by Steve » 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.

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