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• W2750702936 abstract "The dissociative recombination of HCl+, including both the direct and indirect mechanisms, is studied. For the direct process, the relevant electronic states are calculated ab initio by combining electron scattering calculations to obtain resonance positions and autoionization widths with multi-reference configuration interaction calculations of the ion and Rydberg states. The cross section for the direct dissociation along electronic resonant states is computed by solution of the time-dependent Schrödinger equation. For the indirect process, an upper bound value for the cross section is obtained using a vibrational frame transformation of the elements of the scattering matrix at energies just above the ionization threshold. Vibrational excitations of the ionic core from the ground vibrational state, v = 0, to the first three excited vibrational states, v = 1, v = 2, and v = 3, are considered. Autoionization is neglected and the effect of the spin-orbit splitting of the ionic potential energy upon the indirect dissociative recombination cross section is considered. The calculated cross sections are compared to measurements." @default.
• W2750702936 created "2017-09-15" @default.
• W2750702936 creator A5021886834 @default.
• W2750702936 creator A5039068747 @default.
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• W2750702936 date "2017-08-28" @default.
• W2750702936 modified "2023-09-27" @default.
• W2750702936 title "Dissociative recombination of HCl⁺" @default.
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• W2750702936 doi "https://doi.org/10.1063/1.5000266" @default.
• W2750702936 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/28863532" @default.
• W2750702936 hasPublicationYear "2017" @default.
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