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 2Î states of the NeH molecule are calculated using the electronic structure package MOLPRO…