Speaker
Hannah Bertschi
(Max Planck Institute for the Structure and Dynamics of Matter)
Description
We investigate the electronic and nuclear dynamics of molecules upon photoexcitation in real time. To that end, single- and multi-trajectory Ehrenfest dynamics is employed. Different sampling techniques for the initial nuclear conditions, such as harmonic sampling or sampling with a quantum thermostat, are compared.
Author
Hannah Bertschi
(Max Planck Institute for the Structure and Dynamics of Matter)
Co-author
Dr
Mariana Rossi
(Max Planck Institute for the Structure and Dynamics of Matter)