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A direct, local model of dissociative recombination of HF+

Johanna B Roos1, Åsa Larson1 and Ann E Orel2

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The direct mechanism of dissociative recombination of HF+ have been studied by propagating wave packets on 30 resonant states. The relevant electronic states have been calculated ab initio with electron scattering calculations and multireference configuration interaction calculations. We obtain a qualitative good agreement with experiments for energies in the range from 0.04 eV to 10 eV. Some of the structures in the experimental cross section can be explained by the direct capture and dissociation along the resonant states. To fully describe the measured cross section, the electronic couplings between the neutral states cannot be neglected.


PACS

34.80.Lx Recombination, attachment, and positronium formation

31.15.vj Electron correlation calculations for atoms and ions: excited states

34.80.Ht Dissociation and dissociative attachment

31.15.A- Ab initio calculations

Subjects

Atomic and molecular physics

Computational physics

Dates

Issue 1 (2009)



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