Mixed L2 basis set: STOs plus B-Splines. Calculation of the differential photoionization cross-section of Li2

The convenience afforded by the use of L2 functions in the calculation of the photoionization cross-section and of others properties depending upon the electronic continuum has prompted the examination of particular basis sets that, among those derived, could be able to mimic the continuum states in an extended region of space. Here results are reported for the differential photoionization cross-section of the Li2 molecule, where a mixed L2 basis set comprising multi-center STOs plus single-center radial B-Splines times spherical harmonics was employed.