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Formation of the ion-pair in electron recombination with H-3(+)
KTH, School of Biotechnology (BIO), Theoretical Chemistry.
KTH, School of Biotechnology (BIO), Theoretical Chemistry.
2009 (English)In: Journal of Physics, Conference Series, ISSN 1742-6588, E-ISSN 1742-6596, Vol. 192Article in journal (Refereed) Published
Abstract [en]

We present a two-dimensional theoretical study of the formation of the ion-pair, H-2(+) + H-, in electron recombination with H-3(+) in its ground electronic and vibrational state. The relevant potential energy surfaces, electronic couplings and autoionization widths are calculated by combining electron scattering calculations with quantum chemistry calculations. The nuclear dynamics on six coupled electronic states is studied by propagating wave packets using the MCTDH (Multi Configuration Time-Dependent Hartree) method. Also the cross section for ion-pair formation in electron recombination with D-3(+) is calculated.

Place, publisher, year, edition, pages
2009. Vol. 192
Keyword [en]
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Physical Sciences
URN: urn:nbn:se:kth:diva-31369DOI: 10.1088/1742-6596/192/1/012019ISI: 000287793300019ScopusID: 2-s2.0-73349096037OAI: diva2:404057
QC 20110315 7th International Conference on Dissociative Recombination: Theory, Experiments and Applications, Radboud Univ Nijmegen, Ameland, NETHERLANDS, JUL 18-23, 2007 Available from: 2011-03-15 Created: 2011-03-14 Last updated: 2011-03-15Bibliographically approved

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Larson, ÅsaBrinne Roos, Johanna
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