Valence and core photoemission in M@C60(M = Be, Mg, Ca)

The B -spline density functional method for the electronic continuum is employed to calculate the cross section and the asymmetry parameter profiles of valence and core photoionization in M@C 60 (M = Be, Mg and Ca). For the valence photoionization significant differences are identified through the series and oscillations similar to those observed in the HOMO/HOMO-1 ratio in C 60 have been calculated for Ca@C 60 . Core M 1s and Ca 2p ionizations are studied with the help of the `dipole prepared' continuum orbitals, which allows the identification of the leading mechanisms which give rise to the characteristic sharp and intense shape resonances, typical of these compounds.