Berlin 2005 – scientific programme

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MO: Molekülphysik

MO 34: Theory II

MO 34.6: Talk

Monday, March 7, 2005, 15:45–16:00, HU 2097

Clusters and molecules in intense laser pulses: A computatonal approach based on time-dependent density functional theory. — •Alberto Castro¹, Miguel A. L. Marques², Angel Rubio², and Eberhard K. U. Gross¹ — ¹Fachbereich Physic, Institut fur Theoretische Physik, Arnimallee 14, Berlin 14195 (Deutschland) — ²Donostia International Physics Center, San Sebastian 20019 (Spain)

We present some of our most recent applications of a computational scheme based on time-dependent density functional theory (TDDFT) and a real-space, real time, numerical framework, for the simulation of processes involving high-intensity optical and UV laser irradiation of molecules and clusters. We address the question which exchange and correlation functional performs best in this situation. We will discuss the possibilities and prospects on how to calculate high-harmonic generation, photoionization as well as processes involving the electron-ion dynamics, such as photodissociation and photoisomerization.