Abstract

Absolute photoionization cross-section and asymmetry parameter profiles of Be, Mg and Ca have been calculated at TDLDA and LDA level, employing a very accurate B-spline basis set and the modified Sternheimer approach. The van Leeuwen-Baerends (VLB) exchange correlation potential has been used, since its correct asymptotic behaviour is able to support virtual states and to describe core-excited resonances. The results have been compared with other calculations and experiment when available. The autoionization resonances have been successfully fitted with a suitable Fano profile. The Ca 3p → 3d ‘giant-resonance’ has been properly described, despite of the dramatic screening effects involved in the process. The success of the TDLDA method for describing the cross-section profiles in the present systems which display a wide range of many-body effects, seems to suggest that further efforts to apply the present method to molecules are justified.

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