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Dissociative recombination of HCO+: Sixth International Conference on Dissociative Recombination: Theory, Experiments and Applications
KTH, School of Engineering Sciences (SCI), Physics.
2005 (English)In: DR2004: Sixth International Conference on Dissociative Recombination: Theory, Experiments and Applications / [ed] Wolf, A; Lammich, L; Schmelcher, P, BRISTOL: : IOP PUBLISHING LTD , 2005, Vol. 4, 148-154 p.Conference paper, Published paper (Refereed)
Abstract [en]

We 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.

Place, publisher, year, edition, pages
BRISTOL: : IOP PUBLISHING LTD , 2005. Vol. 4, 148-154 p.
Series
JOURNAL OF PHYSICS CONFERENCE SERIES, ISSN 1742-6588 ; 4
National Category
Physical Sciences
Identifiers
URN: urn:nbn:se:kth:diva-42686DOI: 10.1088/1742-6596/4/1/020ISI: 000228817000020OAI: oai:DiVA.org:kth-42686DiVA: diva2:447528
Conference
6th International Conference on Dissociative Recombination. Mosbach, GERMANY. JUL 12-16, 2004
Note
QC 20111012Available from: 2011-10-12 Created: 2011-10-11 Last updated: 2011-10-12Bibliographically approved

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