[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?
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://www.molpro.net/pipermail/molpro-user/attachments/20060915/1b999fe2/attachment.html>
More information about the Molpro-user
mailing list