Hamburg 2001 – wissenschaftliches Programm
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SYOF: Organische Festkörper
SYOF 5: Poster Session
SYOF 5.6: Poster
Dienstag, 27. März 2001, 17:00–19:00, Aula S3
A new TDDFT based approach for the description of molecules in strong fields — •Thomas Niehaus1, Ben Torralva2, Roland E. Allen2 und Thomas Frauenheim1 — 1Universität-GH Paderderborn, Theoretische Physik, D - 33098 Paderborn — 2Texas A&M University, Dept. of Physics, College Station, Texas 77843, USA
Recent advances in the generation of ultrashort laserpulses make time-resolved investigations of microscopic processes possible. In pump-probe experiments the system of interest is exited with a short intense pulse and its state is monitored afterwards via subsequent pulses. These strongly localized in time pulses exhibit a broad frequency spectrum thus leading to a coherent excitation of many vibrational states. This effect leads to quantum beats in reflectivity or transmission. Because of the high intensity of the laser, the theoretical description of these experiments requires non-perturbative approaches. In this context we present a new approximate scheme based on time dependent density functional theory. With this approach realistic quantum molecular dynamics simulations can now be performed for the excited state. As an example, the existence of special selection rules for the vibrational excitation of C60 has been shown to be in good agreement with experiment.