A close inspection of the charge-transfer excitation by TDDFT with various functionals: An application of orbital- and density-based analyses

► A close inspection of the charge-transfer (CT) excitation. ► Examinations of orbitals and densities give us clear pictures of excited states. ► Only the long range corrected functional improves the CT excitations. ► The improved CT excitations are due to the localized characters mixed in the CT.