multichromophoric systemsAccurately simulating optical spectra for multichromophoric systems is fundamental to assess the validity of quantum chemical calculations. However, it is a complicated challenge, owing to the interplay of electronic and vibronic couplings.

In this collaboration with MIT professor Jianshu Cao, we assess the full cumulant expansion, a new inexpensive method to compute optical lineshape of multichromophoric systems from the results of quantum chemical calculations.


Dipartimento di Chimica e Chimica Industriale
Via Giuseppe Moruzzi, 13
56124 - Pisa, Italy

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