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arXiv · 2501.18431

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·J. Zs. Mezei·J. Tennyson·and Ioan F. Schneider
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Abstract

Potential energy curves and matrix elements of radial non-adiabatic couplings of 2{\Sigma}+ and 2{\Pi} states of the NeH molecule are calculated using the electronic structure package MOLPRO, in view of the study of the reactive collisions between low-energy electrons and NeH+.

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R. Hassaine, D. Talbi, R. P. Brady, J. Zs. Mezei, J. Tennyson, and Ioan F. Schneider. 2025-01-30. 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+. https://arxiv.org/abs/2501.18431

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