Light-driven electron and nuclear dynamics in molecular systems, Prof. Saalfrank

13.01.2015 von 17:00 bis 19:00

Einladender: Prof. Bonitz

Light-driven electron and nuclear dynamics in molecular systems
Prof. Saalfrank, Uni Potsdam

In recent years, in part due to the progress made in generating and controlling intense laser fields,
the timescale of dynamical processes in atomic and molecular systems hasbeen pushed from the
picosecond over femtosecond domains (1fs = 10^-15s), to the socalled attosecond regime (1as = 10^-18s).
The former are the natural timescales for atom motion, the latter is the natural timescale for electron motion.
In the talk, methods and examples will be presented of how to treat the (quantum) dynamics of atoms and / or
electrons on their natural timescales when driven by ultrashort light pulses.

The first part of the talk focuses on electron dynamics. Explicitly timedependent N-electron methods
and their application to selected molecular problems will be presented. Electron dynamics in real time
will be followed by timedependent configuration interaction (TDCI), or by the timedependent complete active
space SCF method (TDCASSCF). Among other examples, these methods will be applied to the electronic
response of small molecules to ultrashort laser pulses, and the optical control of electron wavepackets.

In the second part of the talk nuclear (atom) dynamics, driven by light, will be considered. In particular,
the ultrafast dynamics in biological chromophores and the switching of molecules after photoexcitation,
will be studied with the help ab nonadiabatic “on the fly” molecular dynamics.

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