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astro-ph.IM2025
Theoretical study of the excited states of NeH and of their non-adiabiatic couplings: a preliminary for the modeling of the dissociative recombination of NeH+
R. Hassaine, D. Talbi, R. P. Brady +3
Potential energy curves and matrix elements of radial non-adiabatic couplings of 2Σ+ and 2Π states of the NeH molecule are calculated using the electronic structure package MOLPRO,…
astro-ph.IM2023★ 3 cited
Dissociative recombination of NH: A revisited study
J. Zs Mezei, M. A. Ayouz, A. Orbán +6
Dissociative recombination of NH is explored in a two-step theoretical study. In a first step, a diatomic (1D) rough model with frozen NN bond and frozen angles is adopted,…