Abstract

It is shown that CNDO S calculations provide 6 significant figures of accuracy in the energies of configurations, and 4 significant figures after configuration interaction. The pairing theorem is shown not to hold in the CNDO S method since all F μν are calculated and since the F μμ are not constant. It is further shown that the degeneracies required by the pairing theorem are not even approximated in naphthalene. Finally, using absorption and emission spectroscopic measurements, including triplet-triplet and excited singlet-singlet absorptions, the spectroscopic states of naphthalene are discussed in detail.

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