[molpro-user] DFT-SAPT [PBEOAC] xc-potential

oo8o8oo oo8o8oo at postech.ac.kr
Fri Sep 15 14:16:32 BST 2006


Dear, Molpro.. Thank you very much~
We want to compare the results of DFT-SAPT with those of conventional
SAPT. However, PBE0AC xc-potential is not included in the molpro2006.
Everything what I know is just that PBEOAC potential can be constructed
from the PBE and LB94 potential.
Could you give me more information about this potential?
How can I make? 
 
 
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