Abstract
An examination of the effect of the spin-orbit correction and the diagonal Born-Oppenheimer correction for the F+H 2 → HF+H reaction is reported, using ab initio SCF and CI potential curves. At the transition state the spin-orbit correction increases the barrier height by 0.36 kcal, and the diagonal correction increases it by 0.04 kcal. Earlier in the reaction pathway, the diagonal correction has a singularity, which means that in this region it is not possible to consider the reaction taking place on a single adiabatic surface.
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