Åsa Larson et al 2005 J. Phys.: Conf. Ser. 4 148 doi:10.1088/1742-6596/4/1/020
Åsa Larson1, Stefano Tonzani2, Robin Santra and Chris H Greene3
Show affiliationsWe report on ab initio calculations relevant for dissociative recombination of HCO+. From accurate quantum chemistry calculations, it is found that the electron collision is driven by capture into Rydberg states. The Renner-Teller effect is not important for higher Rydberg states. From calculated potentials, the effective quantum numbers are fitted in three dimensions. The model of the electron collision is simplified using an adiabatic approximation, where one of the Jacobi coordinates is treated adiabatically. Then the electron collision is described using two different theoretical methods. Preliminary results on autoionization widths for Rydberg states and dissociative recombination cross section are given.
34.80.Lx Recombination, attachment, and positronium formation
34.80.Ht Dissociation and dissociative attachment
31.15.A- Ab initio calculations
33.80.Eh Autoionization, photoionization, and photodetachment
Issue 1 (2005)
Åsa Larson et al 2005 J. Phys.: Conf. Ser. 4 148
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