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Electron collisions...
Electron collisions with H3+: Ion-pair formation
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- Brinne Roos, Johanna, 1976- (författare)
- KTH,Teoretisk kemi
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- Larson, Åsa (författare)
- KTH,Teoretisk kemi
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- Orel, Ann (författare)
- Department of Applied Science, University of California, Davis
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(creator_code:org_t)
- The American Physical Society, 2007
- 2007
- Engelska.
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Ingår i: Physical Review A. Atomic, Molecular, and Optical Physics. - : The American Physical Society. - 1050-2947 .- 1094-1622. ; 76:4, s. 042703-1-042703-9
- Relaterad länk:
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https://urn.kb.se/re...
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Abstract
Ämnesord
Stäng
- The formation of the ion pair H2++H− in electron recombination with H3+ is studied. The diabatic potentials and electronic couplings are extracted from ab initio electron scattering calculations as well as quantum chemistry calculations. In order to describe this reaction we include six coupled electronic states and propagate wave packets in two dimensions using the multiconfiguration time-dependent Hartree method. Also, the cross section for ion-pair formation in electron recombination with D3+ is calculated. The cross section for this isotopomer is found to be about a factor of 3 smaller than the cross section for H3+.
Ämnesord
- NATURVETENSKAP -- Fysik -- Atom- och molekylfysik och optik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences -- Atom and Molecular Physics and Optics (hsv//eng)
- NATURVETENSKAP -- Kemi -- Teoretisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Theoretical Chemistry (hsv//eng)
Nyckelord
- ab initio calculations
- deuterium
- hydrogen ions
- ion recombination
- isotope effects
- molecular electronic states
- molecule-electron collisions
- positive ions
- quantum chemistry
- Chemical physics
- Kemisk fysik
- Molecular physics
- Molekylfysik
- kemisk fysik
- Chemical Physics
- Theoretical chemistry
Publikations- och innehållstyp
- ref (ämneskategori)
- art (ämneskategori)
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