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The energy E(G) of G is de ned as the sum the absolute values of the eigenvalues of its adjacency matrix. In theoretical chemistry, within the Hu ckel molecular orbital (HMO) approximation, the energy levels of the -el
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For the TADF molecules considered, the DF-QDPT2 method provides a mean absolute error (MAE) of 0.13 eV, while the MAE values of DF-SA-CASSCF and SS-SR-CASPT2 are 0.65 and 0.74 eV, respectively. The performances of B3LYP
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