Electron Collisions with CO Molecule: An R-Matrix Study Using a Large Basis Set

Abstract

Fixed-nuclei R-matrix calculations are performed at the equilibrium geometry of carbon monoxide using the very large cc-pV6Z Gaussian basis set. Results from a close-coupling model involving 27 low-lying target states indicate the presence of three 2 Σ + resonances at 10.1 eV (width 0.1 eV), 10.38 eV (0.0005 eV) and 11.15 eV (0.005 eV), a 2 ∆ resonance at 13.3 eV (0.1 eV) and two 2 Π resonances at 1.9 eV (1.3 eV) and 12.8 eV (0.1 eV). These new results are in very good agreement with many experimental studies but in contrast to a previous calculation using a smaller cc-pVTZ basis set where we found only one 2 Σ + resonances at 12.9 eV. This is the first time that any theoretical study has reported these high lying 2 Σ + resonances in agreement to experiment and reported detection of a 2 ∆ resonance. Total, elastic and electronic excitation cross sections of CO by electron impact are also presented.