Density functional calculations of valence and core photoionization of C6H6 with an exchange-correlation potential with the correct asymptotic behaviour

The cross section and the asymmetry parameter profiles of C6H6 have been ca lculated for all the one-electron states, from the outer valence to the cor e C 1s. The theoretical method is based on the density functional theory, a nd consists in solving the Kohn-Sham equations for the explicit continuum w avefunction, within a single center basis set of B-splines functions. The e mployment of the LB94 exchange-correlation potential with the correct asymp totic behaviour gives an improvement of the results with respect to previou s calculations. High energy features discovered in a recent experiment have been successfully reproduced by the theory. The core cross section is well reproduced by the theory and the observed features are ascribed to shape r esonances and an assignment is proposed.