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19.1.24 PBEX: PBE Exchange
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19.1 Density Functionals
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19.1.22 PBE: PBE =
19.1.23
PBE0
: PBE0 = 0.75PBEX + PW91C + 0.25Exact Exchange
C. Adamo and V. Barone, J. Chem. Phys. 110, 6158 (1999)
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Feb 26, 2003