CHARGE TRANSFER IN ALLENE AND PENTATETRAENE:
MODEL POTENTIAL SURFACES AND DYNAMICS SIMULATION WITH THE
MULTI CONFIGURATIONAL TIME DEPENDENT HARTREE (MCTDH) METHOD
This is a
poster I presented at the
6th Symposium of the
Volkswagen-Stiftung on Intra- and Intermolecular Electron Transfer in
Brühl near Cologne and at Faraday Discussion 127 - Non-Adiabatic Effects
in Chemical Dynamics at St. Catherine's College, Oxford.
The subject of the project is the coupling of two charge-localised states via a
conical intersection and the parameterisation of the PESs...
abstract