3.2 Evaluation of 60 exchange–correlation functionals

The usefulness of the three criteria described above can be evaluated on the set of 60 popular exchange–correlation functional approximations.\cite{kozuch_dsd-pbep86:_2011,goerigk_thorough_2011,goerigk_general_2010,grimme_semiempirical_2006a,mardirossian__2016,grimme_effect_2011,zhao_design_2005,adamo_toward_1999,krukau_influence_2006,henderson_generalized_2008,vosko_accurate_1980,becke_density-functional_1988,lee_development_1988,becke_density-functional_1993,stephens_ab-initio_1994,mardirossian_use_2016,sabatini_nonlocal_2013,mardirossian_mapping_2015,vydrov_nonlocal_2010,head-gordon2014,sun_strongly_2015,zhao_m06_2008,zhang_comment_1997,hamprecht_development_1998,zhao_exchange-correlation_2005,zhao_design_2006,yu_mn15:_2016,boese_development_2004,grimme_consistent_2010,perdew_generalized_1996,perdew_workhorse_2009,peverati_screened-exchange_2012,perdew_unified_1991} \cite{perdew_atoms_1992,boese_new_2002,staroverov_comparative_2002,zhao_exploring_2008,peverati_screened-exchange_2012,perdew_density-functional_1986,wilson_hybrid_2001,peverati_communication:_2011}\cite{yu_mn15-l:_2016,peverati_improved_2012}\cite{hammer_improved_1999,peverati_m11-l:_2012,zhao_new_2006,boese_new_2000,handy_left-right_2001,slater_simplification_1951,hartree_wave_1928,fock_naherungsmethode_1930} The functionals is an expanded set of those that were originally selected to develop the ASCDB database, and they include a broad set of approximations across all different rungs of Jacob’s ladder, as well as several decades of functional development. The list of all used functionals, as well as detailed reference to their original publications, are reported in the last column of Table \ref{182001}.