Rostock 2019 – scientific programme

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AKjDPG: Arbeitskreis junge DPG

AKjDPG 2: Tutorial Molecular Spectroscopy (joint session AKjDPG/MO)

AKjDPG 2.2: Tutorial

Sunday, March 10, 2019, 17:00–18:00, U HS 224

Theoretical Perspective on Time-resolved Spectroscopy of Molecular Systems — •Oliver Kühn — University of Rostock, Institute of Physics, 18059 Rostock, Germany

Experiments in ultrafast spectroscopy have advanced to an unprecedented level of sophistication, being able to unravel even the finest details of molecular dynamics. Applications range from gas phase dynamics to the initial steps of photosynthesis, thereby encompassing many orders of magnitude as far as time and frequency scales are concerned. The analysis and interpretation requires advanced theoretical methods that can cope with the challenges provided by the experimental data. Here, ideas from electronic structure theory and quantum dynamics meet, areas which evolved separately so far.

In this tutorial, basic concepts of theoretical time-resolved spectroscopy will be discussed using applications from recent literature. In particular it will be shown that in the weak-field limit a rigorous and practical formulation of (non-)linear signals in terms of multi-time response functions can be given. Their information content is fully explored within two-dimensional spectroscopies, which have been developed to probe vibrational as well as electronic excitation dynamics.

[1] V. May and O. Kühn, Charge and Energy Transfer Dynamics in Molecular Systems, Wiley-VCH, 2011; [2] P. Hamm and M. T. Zanni, Concepts and Methods of 2D Infrared Spectroscopy, Cambridge, 2011; [3] M. Schröter, S. D. Ivanov, J. Schulze, S. P. Polyutov, Y. Yan, T. Pullerits, O. Kühn, Phys. Rep. 567, 1 (2015).