Non-Condon effects in one- and two-photon absorption spectra of the green fluorescent protein

E. Kamarchik and A.I. Krylov
J. Chem. Phys. Lett. 2, 488 – 492 (2011)

We report calculations of one and two photon absorption (OPA and TPA, respectively) spectra of the green fluorecent protein chromophore using the double-harmonic parallel-mode approximation and including explicit dependence of the electronic transition moments on nuclear geometry. The non-Condon effects are found to be more significant for TPA. They change the shape of the spectra and result in a blue shift of 500 cm-1 of the TPA spectra relative to OPA. The computed shift is in excellent agreement with the experimentally observed 700 cm-1.

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