Electronic Structure Theory for X-Ray Absorption and Photoemission Spectroscopy

Abstract

AbstractThe principles of X-ray absorption and photoemission spectroscopy calculations are introduced and the basics of electronic structure theory, including the Hartree–Fock approximation, density functional theory, its time-dependent version and quasiparticle theory are reviewed on an elementary level. Emphasis is put on polarization effects and the role played by electron correlation.