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+
Abstract
Potential energy curves and matrix elements of radial non-adiabatic couplings of 2+ and 2 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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