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19.1.23 PBE0: PBE0 =
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19.1 Density Functionals
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19.1.21 P86:
19.1.22
PBE
: PBE = PW91C + PBEX
J. P. Perdew, K. Burke and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996)
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Feb 26, 2003