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- W1655186113 abstract "It is shown that CNDOS 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 CNDOS method since all Fμν are calculated and since the Fμμ 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." @default.
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- W1655186113 date "1974-03-01" @default.
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- W1655186113 title "The use of the CNDO method in spectroscopy" @default.
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- W1655186113 doi "https://doi.org/10.1016/0022-2852(74)90249-5" @default.
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