Talk given by Prof. Joseph E. Subotnik University of Pennsylvania, Philadelphia, USA Abstract: In this talk, I will give an overview of how we can model electronic relaxation for complex, photo-excited molecular problems. Our approach will be the quick and dirty surface hopping algorithm, where there has been a flurry of recent activity. Here, I will show how surface hopping works, discuss very new insights into its physical origins, and highlight the role of phenomenological and mathematical decoherence. Finally, I will model the nonadiabatic electronic excitation transfer (EET) of methyl-benzyl-benzaldehyde in detail (using on the fly electronic structure). Time permitting, I will discuss the surface hopping view of electronic spectroscopy in condensed phase systems.

This event is part of the eventgroup INT Talks

Homepage
https://www.int.kit.edu/events.php

Speaker
Prof. Joseph E. Subotnik

University of Pennsylvania, Philadelphia, USA
http://www.sas.upenn.edu/~subotnik/Site/Home_Page.html

Organizer
Prof. Willem Klopper
Institut für Nanotechnologie
KIT
Karlsruhe
Mail: willem klopper ∂does-not-exist.kit edu

Targetgroup
Interested / Everyone