Published October 2007
| Version v1
Journal article
Electron collisions with H3+: Ion-pair formation
Creators
- 1. Department of Applied Science, University of California, Davis, California 95616 (United States)
- 2. Department of Theoretical Chemistry, School of Biotechnology, Royal Institute of Technology, S-106 91 Stockholm (Sweden)
Description
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+
Additional details
Identifiers
Publishing Information
- Journal Title
- Physical Review. A
- Journal Volume
- 76
- Journal Issue
- 4
- Journal Page Range
- p. 042703-042703.9
- ISSN
- 1050-2947
- CODEN
- PLRAAN
INIS
- Country of Publication
- United States
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- INIS RN
- 39042522
- Subject category
- S74: ATOMIC AND MOLECULAR PHYSICS;
- Descriptors DEI
- COUPLINGS; CROSS SECTIONS; DEUTERIUM; DEUTERIUM IONS; ELECTRON-ELECTRON COUPLING; ELECTRON-MOLECULE COLLISIONS; ELECTRONS; HYDROGEN IONS; HYDROGEN IONS 1 MINUS; ION PAIRS; ISOTOPE EFFECTS; MOLECULAR IONS; POTENTIALS; RECOMBINATION; SCATTERING; TIME DEPENDENCE; WAVE PACKETS; WAVE PROPAGATION
- Descriptors DEC
- ANIONS; CHARGED PARTICLES; COLLISIONS; COUPLING; ELECTRON COLLISIONS; ELEMENTARY PARTICLES; FERMIONS; HYDROGEN IONS; HYDROGEN ISOTOPES; IONS; ISOTOPES; LEPTONS; LIGHT NUCLEI; MOLECULE COLLISIONS; NUCLEI; ODD-ODD NUCLEI; STABLE ISOTOPES
Optional Information
- Notes
- (c) 2007 The American Physical Society