Dissociative recombination of NO+: calculations and comparison with experiment

Citation
If. Schneider et al., Dissociative recombination of NO+: calculations and comparison with experiment, J PHYS B, 33(21), 2000, pp. 4849-4861
Citations number
46
Categorie Soggetti
Physics
Journal title
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS
ISSN journal
09534075 → ACNP
Volume
33
Issue
21
Year of publication
2000
Pages
4849 - 4861
Database
ISI
SICI code
0953-4075(20001114)33:21<4849:DRONCA>2.0.ZU;2-B
Abstract
Multichannel quantum defect calculations for NO+ dissociative recombination (DR) for electron energies from threshold to 8 eV are presented. The calcu lations use electronic energies and autoionization widths of valence states obtained from ab initio R-matrix calculations with the corresponding poten tial curves calibrated using available spectroscopic data. Six valence stat es open to dissociation are included in the final calculations. Excellent a greement with the measured cross sections is obtained for the low-energy DR , up to 3 eV and, for the first time, the peak observed in the cross sectio n at high energy is accounted for. The importance of the various dissociati ve states at different electron energies, as well as the direct and indirec t processes, is discussed. Compared to previous theoretical studies, the in clusion of a third dissociative state of (2)Pi symmetry and the larger auto ionization width of the B' (2)Delta state are found to be particularly impo rtant for the agreement with experiment.