The gerade-ungerade splitting of N 2+ potentials: effects on the resonant charge transfer cross sections of nitrogen atoms

Abstract

Ab initio N 2 +( 2,4,6Σ g,u, 2,4,6Π g,u) potential splittings have been calculated in the internuclear distance range 2–5 A. The results for the Σ potentials have been obtained in the Heitler-London formulation either retaining all relevant integrals (method 1), or by neglecting some terms (method 2), while the Π splittings have been calculated only within the more approximate method 2. The results have been used for calculating the total charge transfer sections Q tr of the process N( 4S) + (N +( 3P) = N 3P) + N( 4S). A reasonably satisfactory agreement with the corresponding Q tr values obtained from previous potentials can be pointed out, with the exception of the results based on the extrapolation of spectroscopic potential curves. A good agreement has also been found with the experimental Q tr values of Belyaev as well as with the Q tr cross sections derived by Duman and Smirnov by means of a completely different theoretical approach.