Towards a Self-Consistent Determination of the Mixing Parameters in the Anderson Model: An Application to the 4f-Excitation Spectra of YbP (original) (raw)

Physical Review Letters, 1986

Abstract

A method is presented for computing the mixing parameters in the Anderson model for heavy-rare-earth compounds, based on a linear combination of atomic orbitals fit to a self-consistent band-structure calculation. An appropriate average of these parameters is used in a many-body calculation of the valence-band-x-ray-photoemission and inverse-photoemission spectra of YbP, with the Coulomb integral U as the only adjustable quantity. The calculated inverse-photoemission spectrum agrees qualitatively with room-temperature low-resolution data by Baer et al.

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