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A: Fachverband Atomphysik
A 23: Interaction of Matter with Ions
A 23.1: Fachvortrag
Donnerstag, 5. März 2009, 10:30–11:00, VMP 6 HS-B
A simple parameter-free one-center one-electron description of H2 molecules — •Armin Lühr, Yulian V. Vanne, and Alejandro Saenz — Institut für Physik, AG Moderne Optik, Humboldt-Universität zu Berlin, Hausvogteiplatz 5-7, D-10117 Berlin, Germany.
A peculiarity in quantum mechanics is the fact that in the case of hydrogen most experimental efforts were done for molecules while the theoretical description concentrates mainly on atomic hydrogen. This discrepancy is motivated experimentally by the reactivity of atomic hydrogen and theoretically with the complexity of the full description of the molecular systems including, e.g., two electrons as well as rotational and vibrational degrees of freedom. A direct comparison — if possible — of results obtained with a full molecular and a model description can yield the importance of two-electron or molecular effects, like the deviation from a spherical symmetric charge distribution.
A simple one-electron, single-centered model potential was proposed recently [1] and applied to various physical problems [2]. The model potential is designed to agree in the ionization potential and long-range Coulomb potential with the H2 molecule. Thereby, the model potential can be used for arbitrary internuclear distances. By comparison of excitation energies, transition moments, photo-electron spectra and collisional cross sections for H2 with those determined with the model its applicability shall be examined.
[1] Y. V. Vanne and A. Saenz, J. Mod. Opt. 55, 2665 (2008)
[2] A. Lühr et al., Phys. Rev. A 78, 042510 (2008)