Abstract

The calculation of dissociative recombination rates and cross sections over a wide temperature range by theoretical quantum chemical techniques is described. Model calculations on electron capture by diatomic ions are reported that illustrate the dependence of the rates and cross sections on electron energy, electron temperature, and vibrational temperature for three model crossings of neutral and ionic potential curves. Using harmonic oscillator vibrational wave functions, it is shown that cross sections for recombination to the lowest vibrational level of the ion can vary by several orders of magnitude, depending upon the position of the neutral and ionic potential curve crossing within the turning points of the v=1 vibrational level. A new approach for calculating electron capture widths is reported. Ab initio calculations are described for recombination of 0^ leading to excited 0 atoms.

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