F. Manghi et al., ON-SITE CORRELATION IN VALENCE AND CORE STATES OF FERROMAGNETIC NICKEL, Physical review. B, Condensed matter, 56(12), 1997, pp. 7149-7161
We present a method which allows us to include narrow-band correlation
effects in the description of both valence and core states and we app
ly it to the prototypical case of nickel. The results of an ab initio
band calculation are used as input mean-field eigenstates for the calc
ulation of self-energy corrections and spectral functions according to
a three-body scattering solution of a multiorbital Hubbard Hamiltonia
n. The calculated quasiparticle spectra show a remarkable agreement wi
th photoemission data in terms of bandwidth, exchange splitting, satel
lite energy position of valence states, and spin polarization of both
the main line and the satellite of the 3p core level.