Frankfurt 2006 – scientific programme

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MO: Molekülphysik

MO 27: Poster: Femtosecond Spectroscopy

MO 27.4: Poster

Tuesday, March 14, 2006, 16:30–18:30, Labsaal

Molecular tomography: test of accuracy and improvements using time-dependent calculations — •Elmar van der Zwan and Manfred Lein — Max-Planck-Institut für Kernphysik, Saupfercheckweg 1, 69117 Heidelberg

Recently a method to perform tomographic imaging of molecular orbitals using High Harmonic Generation (HHG) has been proposed [1]. The method is based on the simplification that the returning electron in the three-step model can be modeled as a plane wave. We investigate the effect of this assumption in a time-dependent calculation by numerically comparing results for the final reconstructed orbital using two different methods which, without the plane-wave assumption, should lead to identical results; namely the reconstruction based on dipole matrix elements or on momentum matrix elements. From this we try to improve on the method. The 3D orbital of a diatomic molecule can be recovered from the 2D projection that results from the tomographic reconstruction. We investigate molecules with anti-symmetric valence orbitals, since these are expected to cause problems in the original scheme.

[1] J. Itatani, J. Levesque, D. Zeidler, H. Niikura, H. Pépin, J.C. Kieffer, P.B. Corkum and D.M. Villeneuve. Tomographic imaging of molecular orbitals. Nature 432, 867-871 (2004)