Mutual neutralization in low-energy H++H- collisions: A quantum ab initio study
2009 (English)In: Physical Review A. Atomic, Molecular, and Optical Physics, ISSN 1050-2947, E-ISSN 1094-1622, Vol. 79, no 1, 012713-1-012713-12 p.Article in journal (Refereed) Published
The mutual neutralization of H+ and H- at low collision energies is studied by means of a molecular close-coupling approach. All degrees of freedom are treated at the full quantum level also taking into account the identity of the nuclei. The relevant (1)Sigma(+)(g) and (1)Sigma(+)(u) electronic states as well as the associated nonadiabatic radial couplings are calculated for internuclear distances between 0.5 and 50a(0). Following a transformation into a strictly diabatic basis, these quantities enter into a set of coupled equations for the motion of the nuclei. Numerical solution of these equations allows the cross sections for neutralization into the H(1)+H(n), n=1,2,3 final states to be calculated. In the present paper, results are reported for the collision energy region 0.001-100 eV, with special emphasis on the important energy region below 10 eV. The low temperature rate coefficient is obtained from a parametrization of the calculated cross section and is estimated to be valid over the range 10-10 000 K.
Place, publisher, year, edition, pages
2009. Vol. 79, no 1, 012713-1-012713-12 p.
ab initio calculations, atom-atom collisions, hydrogen ions, positive ions
IdentifiersURN: urn:nbn:se:kth:diva-9418DOI: 10.1103/PhysRevA.79.012713ISI: 000262979000094ScopusID: 2-s2.0-59549107692OAI: oai:DiVA.org:kth-9418DiVA: diva2:113894
QC 20101123. Uppdaterad från submitted till published (20101123).2008-10-312008-10-312010-11-23Bibliographically approved