DTU Physical Chemistry seminar with Prof. Dr. Christof Hättig
Lehrstuhl für Theoretische Chemie
Ruhr-Universität Bochum
Topic: Studying excited states and their dynamics in solution with correlated wavefunction methods
Abstract:
In this talk I will present recent developments on the combination of electronic structure calculations with correlated wavefunction methods at the level of Coupled-Cluster and related methods for electronically excited states with atomistic and continuum solvation models. Applications will be shown to the aromatic triazene berenil to understand its ultrafast excited-state dynamics in different environments.
Organizer: Prof. Sonia Coriani, soco@kemi.dtu.dk