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. 2017 May 19;146(19):194108. doi: 10.1063/1.4983126

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Copyright © 2017 Author(s)

Published by AIP Publishing.

0021-9606/2017/146(19)/194108/8/$30.00

PMC Copyright notice

FIG. 2. — MSD (see text for details) with respect to CCSD(T)^8,61 of calculated neutral excitations of the acene molecules (n=1–6). The calculated ${}^{1}L_{a}$ (blue bars), ${}^{1}L_{b}$ (orange bars), and ${}^{3}L_{a}$ (pink bars) excitations, and ${}^{1}L_{b} -^{1} L_{a}$ (black bars) energy difference are shown for a few representative TDDFT and GW-BSE approaches: TD-OTRSH and TD-CAM-B3LYP in panel (a), and G₀W₀-BSE@BHLYP, G₀W₀-BSE@OTRSH-PBE, and evGW-BSE@PBE0 in panel (b).