Electron collisions with H3+: Ion-pair formation
2007 (English)In: Physical Review A. Atomic, Molecular, and Optical Physics, ISSN 1050-2947, E-ISSN 1094-1622, Vol. 76, no 4, 042703-1-042703-9 p.Article in journal (Refereed) Published
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+.
Place, publisher, year, edition, pages
The American Physical Society , 2007. Vol. 76, no 4, 042703-1-042703-9 p.
ab initio calculations, deuterium, hydrogen ions, ion recombination, isotope effects, molecular electronic states, molecule-electron collisions, positive ions, quantum chemistry
Atom and Molecular Physics and Optics Atom and Molecular Physics and Optics
Research subject Chemical Physics
IdentifiersURN: urn:nbn:se:su:diva-27106DOI: 10.1103/PhysRevA.76.042703OAI: oai:DiVA.org:su-27106DiVA: diva2:212656