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. 2021 Jan 5;17(2):927–942. doi: 10.1021/acs.jctc.0c01135

Table 1. Functionals Assessed in This Paper.

functional exchange correlation level range separation spin scaling
PBE0-QIDH PBE PBE double hybrid no no
PBE0-2 PBE PBE double hybrid no no
DSD-PBEP86 PBE P86 double hybrid no yes
B2PLYP B88 LYP double hybrid no no
B2GPPLYP B88 LYP double hybrid no no
ωB2PLYP B88 LYP double hybrid yes no
ωB2GPPLYP B88 LYP double hybrid yes no
CAM-B3LYP B88 LYP hybrid yes no
ωB97X B97 B97 hybrid yes no
RS-PBE-PBE PBE PBE double hybrid yes no
RS-PBE-P86 PBE P86 double hybrid yes no
RS-B88-LYP B88 LYP double hybrid yes no