article jcp november 2020

Photoinduced energy and charge transfer processes are fundamental in many biological and chemical processes. In this work, in collaboration with Prof. Neugebauer’s group, we compared different approaches for the calculation of electronic couplings involved in photoinduced charge transfer, in the context of subsystem time-dependent density functional theory (sTD-DFT).

Link: https://doi.org/10.1063/5.0022677

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