The mean absolute deviations in Table 1 show that our new COOX method yields similar accuracies as x-cDFT or t-cDFT and a clear trend of improvement with the quaility of the chosen exchange-correlation functional (PBE < PBE0 < ωB97-X).
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The mean absolute deviations in Table 1 show that our new COOX method yields similar accuracies as x-cDFT or t-cDFT and a clear trend of improvement with the quaility of the chosen exchange-correlation functional (PBE < PBE0 < ωB97-X).