Spin-resolved state-selective electron capture in C5+-H collisions

Abstract

The electron capture processes in the C5+(1s)+H(1s) collision system are investigated by the quantum-mechanical molecular orbital close-coupling (QMOCC) method in the energy range of 10−5–10 keV u−1. Accurate molecular structure calculations are performed by the ab initio multireference single- and double-excitation configuration interaction method. The electron translational effects are included in the calculations. The total and spin-resolved state-selective cross sections are presented and compared with the available experimental and theoretical data. The present results have a good agreement with the experimental measurements. Our calculations show that the electron translation factors play a very important role for energies above 0.1 keV u−1 leading to significant differences between the present and the previous QMOOC cross section results of Nolte et al 2012 (J. Phys. B: At. Mol. Opt. Phys. 45 245202). The effects of the core electron also cannot be ignored below 2 keV u−1. Model potential calculations, in which the core electron is treated as frozen, cannot give accurate spin-resolved cross sections.