Published October 2007 | Version v1
Journal article

Electron collisions with H3+: Ion-pair formation

  • 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

Optional Information

Notes
(c) 2007 The American Physical Society