Table 1 List of hybrid functionals considered in this work with their corresponding mixing parameters

global

PBE0

0.25

0.25

–

DD-PBE0

1/ϵ_∞

1/ϵ_∞

–

K-PBE0

α_K⁴³

α_K

–

α_s = 0.25

HSE06

0.25

0

0.106 bohr⁻¹

TF

0.25

1/ϵ_∞

μ_TF³¹

\({\mu }_{{{{\rm{fix}}}}}^{{\alpha }_{s} = 0.25}\)

0.25

1/ϵ_∞

0.71 bohr⁻¹

α_s = 1

DSH

1

1/ϵ_∞

μ_DSH³²

DD-CAM

1

1/ϵ_∞

μ_DD-CAM²⁰

\({\mu }_{{{{\rm{fix}}}}}^{{\alpha }_{s} = 1}\)

1

1/ϵ_∞

0.71 bohr⁻¹

K-CAM-α_s

α_s,K⁴³

1/ϵ_∞

0.106 bohr⁻¹