NWChem vs Gaussian energies
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Just Got Here
3:45:16 PM PST - Tue, Nov 20th 2012
Thank you! I had used that explicit expression for BP86 because of an e-mail I had found (
here
). Is that wrong?
Another thing, I see that nwchem supports the resolution of identity approximation for MP2, but I'm not sure about dft... is it possible?
Thank you again