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. 2022 Jan 13;18(2):865–882. doi: 10.1021/acs.jctc.1c01100

Figure 6.

Figure 6

MAEs for calculated singlet (left) and triplet (right) excitation energies for the LJ1 test set139 using aug-cc-pVTZ basis sets with corresponding auxiliary bases. The numbers of transitions are in parentheses.