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Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/).
The difference of transferred charges (Δq, in e) between the TDDFT results with different functionals and the full TDDFT results with the M11 functional. The brown and blue regions represent the full TDDFT and TDA-TDDFT results, respectively.