Dissociative recombination of HCO+: Sixth International Conference on Dissociative Recombination: Theory, Experiments and Applications
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 (Refereed)
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.
, JOURNAL OF PHYSICS CONFERENCE SERIES, ISSN 1742-6588 ; 4
IdentifiersURN: urn:nbn:se:kth:diva-42686DOI: 10.1088/1742-6596/4/1/020ISI: 000228817000020OAI: oai:DiVA.org:kth-42686DiVA: diva2:447528
6th International Conference on Dissociative Recombination. Mosbach, GERMANY. JUL 12-16, 2004
QC 201110122011-10-122011-10-112011-10-12Bibliographically approved