Publication d\'article : O. Motapon. Electron–${\\mathrm{He}}\_{2}^{+}$ scattering calculation using the R-matrix method: resonant and bound states of He2
Publié le : 2017-08-11 11:11:30



  

Abstract

The UK molecular R-matrix codes are used to study electron collisions with the \"${\\mathrm{He}}\_{2}^{+}$\" molecular ion. Full configuration interaction calculations are performed to obtain the potential energy curves of the ground X \"${}^{2}{{\\rm{\\Sigma and the first excited A \"${}^{2}{{\\rm{\\Sigma electronic states of \"${\\mathrm{He}}\_{2}^{+}$\". Resonances, effective quantum numbers, and resonance widths as a function of the internuclear separation are determined for the lowest singlet \"${}^{1}{{\\rm{\\Sigma and \"${}^{1}{{\\rm{\\Pi and triplet \"${}^{3}{{\\rm{\\Sigma and \"${}^{3}{{\\rm{\\Delta states, which are relevant for the study of the reactive collision of \"${\\mathrm{He}}\_{2}^{+}$\" with low-energy electrons. In addition, bound states are also calculated for each symmetry of \"${\\mathrm{He}}\_{2}$\" at several geometries.


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