Is the Bethe-Salpeter Formalism Accurate for Excitation Energies? Comparisons with TD-DFT, CASPT2, and EOM-CCSD.

In the literature, there have been contrasted reports regarding the accuracy of EOM-CCSD for valence and Rydberg states, 10 , 38 and our results indicate that the errors can be quite significant for CT transitions, a result not highlighted before to the very best of our knowledge.

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