Change search
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • harvard1
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf
Ion-pair formation in electron recombination with H3+
KTH, School of Biotechnology (BIO), Theoretical Chemistry.
KTH, School of Biotechnology (BIO), Theoretical Chemistry.
Department of Applied Science, University of California.
2006 (English)In: Philosophical Transactions. Series A: Mathematical, physical, and engineering science, ISSN 1364-503X, Vol. 364, no 1848, 2999-3005 p.Article in journal (Refereed) Published
Abstract [en]

The process of resonant ion-pair formation following electron collisions with H-3(+) is studied. The relevant diabatic potential energy surfaces and the electronic couplings between these surfaces are calculated. The reaction is then described using a time-dependent approach with wave packets propagating on the coupled potentials. In order to describe the reaction, it is found necessary to include at least two dimensions in the model. The effects of the Rydberg states on the cross-section for this process are discussed.

Place, publisher, year, edition, pages
2006. Vol. 364, no 1848, 2999-3005 p.
Keyword [en]
ion-pair state, wave packet dynamics, H-3(+)
National Category
Theoretical Chemistry
Identifiers
URN: urn:nbn:se:kth:diva-7101DOI: 10.1098/rsta.2006.1884ISI: 000241921300012Scopus ID: 2-s2.0-33751438760OAI: oai:DiVA.org:kth-7101DiVA: diva2:12012
Note
QC 20101103Available from: 2007-05-14 Created: 2007-05-14 Last updated: 2010-11-03Bibliographically approved
In thesis
1. Electron Recombination with Small Molecular Ions
Open this publication in new window or tab >>Electron Recombination with Small Molecular Ions
2007 (English)Licentiate thesis, comprehensive summary (Other scientific)
Abstract [en]

In this thesis I have theoretically studied electron recombination processes with small molecular ions.

In these kind of processes resonant states are involved. To calculate the potential energy for these states as a function of internuclear distance, structure calculations and scattering calculations have to be performed.

So far I have been studying the ion-pair formation with in electron recombination with H3+. The cross section for this process has been calculated using different kind of models, both a time dependent quantum mechanical and a semiclassical.

I have also studied the direct process of dissociative recombination of HF+. To calculate the total cross section for this process, we have performed wave packet propagation on thirty resonant states and summed up the individual cross sections for these states.

The cross sections for both these processes have a similar appearance to those measured experimentally in the ion storage ring CRYRING in Stockholm.

Place, publisher, year, edition, pages
Stockholm: KTH, 2007. iv, 33 p.
Series
Trita-BIO-Report, ISSN 1654-2312
Keyword
dissociative recombination, ion-pair formation, resonant states, wave packet, molecular dynamics, electron scattering
National Category
Theoretical Chemistry
Identifiers
urn:nbn:se:kth:diva-4375 (URN)978-91-7178-681-4 (ISBN)
Presentation
2007-05-31, FD41, Huvudbyggnaden, Roslagstullsbacken 21, Stockholm, 10:00
Opponent
Supervisors
Note
QC 20101103Available from: 2007-05-14 Created: 2007-05-14 Last updated: 2010-11-03Bibliographically approved

Open Access in DiVA

No full text

Other links

Publisher's full textScopushttp://dx.doi.org/10.1098/rsta.2006.1884

Search in DiVA

By author/editor
Larson, ÅsaRoos, Johanna
By organisation
Theoretical Chemistry
In the same journal
Philosophical Transactions. Series A: Mathematical, physical, and engineering science
Theoretical Chemistry

Search outside of DiVA

GoogleGoogle Scholar

doi
urn-nbn

Altmetric score

doi
urn-nbn
Total: 46 hits
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • harvard1
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf