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Abstract: The mutual neutralization of H^+ and H^- ions at low collision energies isstudied by means of a molecular close-coupling approach. All degrees of freedomare treated at the full quantum level taking into account also the identity ofthe nuclei. The relevant ^1Sigma g,u^+ electronic states and their associatednonadiabatic radial couplings are calculated for internuclear distances between0.5 and 50 a 0. Following a transformation into a strictly diabatic basis,these quantities enter into a set of coupled equations for the motion of thenuclei. Numerical solution of these equations allows the cross sections forscattering into the H1+H^*n, n=1,2,3 channels to be calculated. In thepresent paper, results are reported for the collision energy region 0.001 to100 eV, with special emphasis on the important energy region below 10 eV. Thelow temperature rate coefficient is obtained from a parametrization of thecalculated neutralization cross section and is estimated to be valid in therange 10 to 10 000 K.



Autor: Michael Stenrup, Åsa Larson, Nils Elander

Fuente: https://arxiv.org/



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