Dresden 2009 – wissenschaftliches Programm

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O: Fachverband Oberflächenphysik

O 24: Methods: Molecular simulations and statistical mechanics

O 24.1: Vortrag

Dienstag, 24. März 2009, 15:00–15:15, SCH A01

Optimal Control of Dissipative Wave Packet Dynamics — •Erik Asplund and Thorsten Klüner — Institut für Reine und Angewandte Chemie, Carl von Ossietzky Universität Oldenburg, Germany

Light interacting with atoms and molecules is not only a source of information about the atoms and molecules studied, it can also initiate charge and energy transfer processes, i.e. chemical reactions. If excitation, excited state dynamics and relaxation all happen on the same time scale, a theoretical approach is required, which allows for a faithful description not relying on a separation of time scales. This can be done within the framework of the Surrogate Hamiltonian approach [1]. In this approach, a quantum system is separated into a primary system and a bath. The primary system is then explicitly immersed in the bath which acts as a dissipative environment. A theoretical tool for the design of laser pulses to transfer an initial state to a final state is optimal control theory (OCT) [2]. Besides the traditional final-time control algorithms, there exist methods to also handle time-dependent control targets [3,4]. To gain control of a dissipative system, time-dependent OCT is combined with the Surrogate Hamiltonian method. It is shown that an effective control of a dissipative system is possible.

References: [1] Roi Baer, and Ronnie Kosloff, J. Chem. Phys. 106, 8862 (1997). [2] Wusheng Zhu, Jair Botina, and Herschel Rabitz, J. Chem. Phys. 108, 1953 (1997). [3] Yukiyoshi Ohtsuki, Gabriel Turinici, and Herschel Rabitz, J. Chem. Phys. 120, 5509 (2004). [4] I. Serban, J. Werschnik, and E. K. U. Gross, Phys. Rev. A 71, 053810 (2005).

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