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SYQS: Symposium Quantum Control Spectroscopy

SYQS 1: Quantum Control Spectroscopy I

SYQS 1.3: Hauptvortrag

Donnerstag, 11. März 2010, 11:30–12:00, E 415

Development of strategies for the optimal control in complex systems — •Roland Mitric — Fachbereich Physik, Arnimallee 14, D-14195 Berlin

A newly developed *Field induced surface hopping* method for simulation and control of laser induced processes in complex molecular systems will be presented. This method combines quantum electronic state population dynamics with classical nuclear dynamics carried out *on the fly* and can be connected with optimal control in order to steer molecular processes by optimizing laser fields using e. g. evolutionary algorithms. For the propagation of classical trajectories the whole spectrum of methods ranging from empirical force fields, semiempirical to ab initio quantum chemical methods can be employed, opening the possibility of broad applications. Furthermore our approach allows to gain a fundamental insight into the mechanisms underlying the control of molecular processes by direct application of experimentally optimized laser pulses. We will illustrate our approach on the examples of the control of photoswitching (trans-cis isomerization), control of excited state lifetimes and photoemission in DNA bases and optical discrimination of flavine chromophores. References: R. Mitric, J. Petersen, V. Bonacic-Koutecky, Phys. Rev. A., 79, 053416 (2009)