Details

Autor(en) / Beteiligte

• Wang, J.G.
• Stancil, P.C.
• Turner, A.R.
• Cooper, D.L.
• Department of Chemistry, University of Liverpool, Liverpool L69 7ZD

Titel

Charge transfer of O{sup 3+} ions with atomic hydrogen

Ist Teil von

• Physical review. A, Atomic, molecular, and optical physics, 2003-01, Vol.67 (1)

Ort / Verlag

United States

Erscheinungsjahr

2003

Quelle

American Physical Society

Beschreibungen/Notizen

• Charge transfer processes due to collisions of ground state O{sup 3+}(2s{sup 2}2p {sup 2}P) ions with atomic hydrogen are investigated using the quantum-mechanical molecular-orbital close-coupling (MOCC) method. The MOCC calculations utilize ab initio adiabatic potentials and nonadiabatic radial and rotational coupling matrix elements obtained with the spin-coupled valence-bond approach. Total and state-selective cross sections and rate coefficients are presented. Comparison with existing experimental and theoretical data shows our results to be in better agreement with the measurements than the previous calculations, although problems with some of the state-selective measurements are noted. Our calculations demonstrate that rotational coupling is not important for the total cross section, but for state-selective cross sections, its relevance increases with energy. For the ratios of triplet to singlet cross sections, significant departures from a statistical value are found, generally in harmony with experiment.