Fixed-Nuclei Photon Scattering Cross Sections for H₂⁺

Photoionisation, Rayleigh, and Raman scattering cross sections have important applications in modelling radiative transport, opacities, and Raman spectroscopy, which in particular has important applications in hydrogen storage. We have recently developed a computer program capable of calculating two-centre Coulomb radial and angular wave functions in prolate spheroidal coordinates. The development of this computer program has opened up the possibility for us to calculate photon scattering cross sections for the hydrogen molecular ion using techniques we have previously used to successfully calculate photon scattering cross sections for atomic hydrogen and the alkali atoms. We present a set of photoionisation, Rayleigh, and Raman scattering cross sections for various electronic states of H₂⁺ within the fixed nuclei approximation. The significance of including the electronic continuum when calculating cross sections for Rayleigh and Raman scattering between electronic levels of H₂⁺ has been investigated. The ability to produce two-centre Coulomb radial wave functions also allow for the calculation of photoionisation cross sections of H₂⁺.

*This work supported by the United States Air Force Office of Scientific Research, Curtin University, and the Pawsey Supercomputing Centre.