Gaussian-type-orbital basis sets for the calculation of continuum properties in molecules: The differential photoionization cross section of molecular nitrogen

The differential cross section of the valence one-photon ionization of N₂ is computed in the random phase approximation using large L² basis sets of Gaussian-type orbitals (GTO's) and a K-matrix-based technique. Several special polynomial spherical GTO's are included in the basis set used to adequately represent the orbitals lying in the electronic continuum. Ionization channels originating from the 3σg, 1πᵤ, 2σᵤ, and 2σg occupied orbitals are considered, both in separated and interacting channel approaches.