Berlin 2014 – wissenschaftliches Programm
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A: Fachverband Atomphysik
A 15: Poster: Interaction with strong or short laser pulses
A 15.1: Poster
Montag, 17. März 2014, 16:30–18:30, Spree-Palais
Time-Dependent Generalized Active Space Configuration Interaction Approach to Ultrafast Dynamics in Atoms and Molecules — •Sebastian Bauch1,2, Lasse Kragh Sørensen2, and Lars Bojer Madsen2 — 1Institut für Theoretische Physik und Astrophysik, Christian-Albrechts-Universität zu Kiel, Leibnizstrasse 15, 24098 Kiel, Deutschland — 2Institut for Fysik og Astronomi, Aarhus Universitet, Ny Munkegade 120, 8000 Aarhus C, Danmark
The progress in experiments using ultrashort and strong laser pulses demands for the development of theoretical tools for the time-dependent description of multi-electron targets including electron-electron correlations. In this contribution, we address one approach to the time-dependent many-electron problem: the time-dependent generalized active space configuration interaction (TD-GAS-CI) approach [1] within a mixed basis set consisting of a localized bound part and a discretized continuum [2]. We demonstrate the capabilities of the method by comparing to exact solutions of the multi-particle time-dependent Schrödinger equation and address the question of the choice of an appropriate single-particle basis set, in particular Hartree-Fock and natural orbitals. Photoionization cross-sections and higher-harmonic generation in multi-electron model systems are discussed.
[1] T. Fleig et al., J. Chem. Phys. 114, 4775 (2001)
[2] D. Hochstuhl and M. Bonitz, Phys. Rev. A 86, 053424 (2012)