Seminar with Prof. Dr. Christof Hättig

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    

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,            


tor 12 sep 19
11:00 - 14:00


Room 021, Building 206