Electron-impact excitation and ionization of H2+ using a configuration-average distorted-wave method -: art. no. 012716

A configuration-average distorted-wave method is developed to calculate electron-impact excitation and ionization cross sections for diatomic molecules and their ions. The method is based on the construction of bound and continuum orbitals on a two-dimensional numerical lattice in (r, theta) center-of-mass polar coordinates. Our first applications are the calculation of 1s sigma -> 2p sigma and 1s sigma -> 2p pi excitation cross sections and 1s sigma ->epsilon l lambda ionization cross sections for H-2(+). Comparisons are made with plane-wave Born, distorted-wave, and R-matrix calculations, as well as experimental measurements.