ELECTRON CORE-HOLE INTERACTION IN THE X-RAY-ABSORPTION SPECTROSCOPY OF 3D TRANSITION-METALS

A fully relativistic scheme is presented that allows one to deal with the electronic band structure of a solid and the influence of the elec tron core-hole interaction on its x-ray absorption spectra on the same level. This is achieved in a parameter-free way by working throughout in the framework of the time-dependent density functional theory and linear response formalism. Application to the L-2,L-3-absorption spect ra of 3d transition metals demonstrates that the electron core-hole in teraction intermixes the L-2 and L-3 partial spectra, strongly affecti ng the so-called branching ratio. The consequences of this for the mag netic circular x-ray dichroism sum rules are discussed.