Tomorrow, Felix will give a seminar talk at the University of Nottingham – “New Tools for Computational Photochemistry: Wavefunction Analysis and Dynamics.” The talk briefly summarises a number of computational methods developed.
Wavefunction analysis methods:
Methods for nonadiabatic dynamics simulations:
- Dynamics with correlated single-reference methods [Ref1, Ref2]
- Wavefunction overlaps
- Model potentials: linear vibronic coupling and Frenkel exciton models
You can download the slides here: