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 N-2 is computed in the random phase approximation using large L-2 bas is sets of Gaussian-type orbitals (GTO's) and a K-matrix-based techniq ue. Several special polynomial spherical GTO's are included in the bas is set used to adequately represent the orbitals lying in the electron ic continuum. Ionization channels originating from the 3 sigma(g), 1 p i(u), 2 sigma(u), and 2 sigma(g) occupied orbitals are considered, bot h in separated and interacting channel approaches.