Recent advances in molecular photoionization by density functional theory based approaches

The most recent advances in the theoretical description of molecular photoionization by means of the Density Functional Theory with B-splines basis functions is reviewed. From the methodological point of view, the formalism of the Time Dependent Density Functional Theory applied to molecular continuum is considered, with a new implementation based on a non-iterative algorithm. Also, applications of the Kohn-Sham method for the calculation of dichroism in photoionization of chiral molecules and of dynamical parameters beyond the dipole approximation are considered. The methods have proved successful to accurately reproduce experimental data and to suggest reliable assignments to observed spectral features.