On the effect of potential-energy cubic-spline interpolation error on Numerov-Cooley diatomic rovibrational levels

摘要

A heuristic procedure is presented to estimate cubic-spline interpolation error for diatomic-molecule potential-energy curves and assess its effect on rovibrational energy levels computed by the Numerov-Cooley method. The approach is tested on the experimental potential curve for Li_2 (X ∑_g0 as defined by its RKR turning points, and allows the identification of a few misprints in what is currently the most up-to-date reference for the latter. Copyright.