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In this study, we predict vibronic two‐photon absorption (TPA) spectra for 4‐nitroaniline in vacuo. The simulations are performed using density functional theory and the approximate second‐order coupled‐cluster singles and doubles model CC2. Thereby we also demonstrate the possibility of simulations of vibronic TPA spectra with ab initio wavefunction methods that include electron correlation for medium‐sized...
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