Hannover 2010 – wissenschaftliches Programm
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MO: Fachverband Molekülphysik
MO 2: Collisions, Energy Transfer
MO 2.3: Vortrag
Montag, 8. März 2010, 14:30–14:45, F 142
Full two-electron description of H2 molecules in antiproton collisions — •Armin Lühr and Alejandro Saenz — Institut für Physik, AG Moderne Optik, Humboldt-Universität zu Berlin, Newtonstr. 15, D-12489 Berlin
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 is in particular true for collisions involving low-energy antiprotons. The obvious discrepancy originates experimentally from the reactivity of atomic hydrogen and theoretically from the complexity of the full description of the molecular systems including, e.g., two correlated electrons as well as rotational and vibrational degrees of freedom.
For the first time, a full two-electron two-center description of the H2 molecule has been implemented in a nonperturbative time-dependent calculation of antiproton collisions [1]. Close-coupling calculations are performed using a spectral expansion of the scattering wave function in eigenstates of the H2 molecule. The approach allows for the study of arbitrary molecular orientations and different internuclear distances. Besides a comparison of ionization cross sections to experimental data the obtained results are also contrasted to the outcome of a recent approach which employed two simple one-electron model potentials [2]. Thereby, the importance of two-electron effects and different orientations is demonstrated
[1] A. Lühr and A. Saenz, Phys. Rev. A 80 (2009)
[2] A. Lühr and A. Saenz, Phys. Rev. A 78, 032708 (2008)