Berlin 2001 – wissenschaftliches Programm
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K: Kurzzeitphysik
K 6: Short time-scale physics, posters
K 6.1: Poster
Donnerstag, 5. April 2001, 12:30–14:30, AT2
A new TDDFT based approach towards the description of molecules in strong fields — •Thomas Niehaus1, Ben Torralva2, Roland E. Allen2, and Thomas Frauenheim1 — 1Universität-GH Paderderborn, Theoretische Physik, D - 33098 Paderborn — 2Texas A&M University, Dept. of Physics, College Station, Texas 77843, USA
Because of the high intensity fields used in pump-probe experiments, a theoretical description of those measurements requires non-perturbative approaches. In this context we present a new method based on time dependent density functional theory. This scheme can be used to perform realistic quantum molecular dynamics simulations also in the excited state in order to calculate e.g. pump-probe signals. As an example we show results for C60, where special selection rules for laserinduced vibrational excitation are found in good agreement with experiment. Further applications of the method will include selective fragmentation of clusters and molecules via pulse-tayloring.