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Resonant enhancement of two-photon absorption in substituted fluorene molecules
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45.The quantum-chemical calculations reveal that the peak at 4.06 eV is, in fact, a superposition of 2PA into several excited states. Only the strongest of those states (the one used for the analysis in Table IV) displays any significant coupling to the higher-lying intermediate states. Therefore, for this 2PA-active state, a small underestimation of ISRE by the essential-state model can be expected while the contributions of the other 2PA-active states to the ISRE are better described by the essential-state model.
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