Implementation of PBE0 functional in NWCHEM

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Guillaume
If the Ne energy disagrees, we can exclude the atomic symmetry as a factor.
A possible source of discrepancy is the LDA component used by the Correlation PBE functionals.
NWChem makes use of the Perdew-Wang 1991 functional for the LDA bit of PBE Correlation,
can you tell what is Molpro using?
Edo


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