multichromophoric systems

Accurately 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.

Link: https://doi.org/10.1021/acs.jpcb.0c05180
Preprint: https://doi.org/10.26434/chemrxiv.12436487.v1

Pin It

MOLECOLAB - Research Group at the Department of Chemistry of the University of Pisa
Via Giuseppe Moruzzi, 13 - 56124 Pisa, Italy
Admin LogIn/LogOut  |  Privacy Policy

This website uses cookies to ensure you get the best experience

Cookies sent by this website are not used for profiling visitors or obtaining users’ personal information