Tests of second-generation and third-generation density functionals for thermochemical kineticsElectronic supplementary information (ESI) available: Mean errors for pure and hybrid DFT methods. See…

By Yan Zhao, J. Pu, B. Lynch, Donald G. Truhlar. 2004

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Citations in the corpus

• Combining GW calculations with exact-exchange density-functional theory: an analysis of valence-band photoemission for compound semiconductors (2005, background): “b PBE0, MAE of atomization energy for six small molecules [56, 57].”