Abstract
In this chapter, we focus on applications of the non-adiabatic approximation to nuclear vibration and dissociative attachment. The formalism has been described in the preceding chapter and, to avoid repetition, we will refer to its equations and adopt the same notation. In this chapter we will give particular emphasis to the practical problems encountered. The molecular targets for which calculations using this method have been carried out include N2,2, 3 HF,4 HC1,5 HBr,6 CO,7 and HeH+8, 9 and we will use the last two systems as illustrative examples. A simple extension allow for coupling between the R-matrix poles is also described.10
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Morgan, L.A. (1995). Non-Adiabatic Effects in Vibrational Excitation and Dissociative Recombination. In: Huo, W.M., Gianturco, F.A. (eds) Computational Methods for Electron—Molecule Collisions. Springer, Boston, MA. https://doi.org/10.1007/978-1-4757-9797-8_9
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DOI: https://doi.org/10.1007/978-1-4757-9797-8_9
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