SEARCH Articles Figures Tables B3-LYP exchange-correlation functional reliability of calculated relative energies Correlation energy Correlation energy functions Correlation function exchange Density Functionals of Exchange-Correlation Energy Density functional theory exchange-correlation energy Energy exchanger Energy exchanging Exchange Correlation energy Exchange and Correlation Energy Functionals Exchange correlation Exchange correlation functional Exchange energy Exchange function Exchange functionals Exchange-correlation energy functional Exchange-correlation energy functional Exchange-correlation energy functional gradient-corrected Exchange-correlation energy functional hybrid Exchange-correlation energy, density functionals Exchange-correlation relativistic energy functional Excitation energy exchange-correlation functional Hohenberg-Kohn theorems exchange correlation functional energy Kohn-Sham theory exchange-correlation energy functional