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The electronic structures of rare-earth elements in the HCP structure, andEuropium in the BCC structure, are calculated by use of density-functionaltheory, DFT. Simulation of X-ray photoemission spectroscopy (XPS) andbremsstrahlung isochromatic spectroscopy (BIS) are made within DFT by imposingthat f-electrons are excited by a large photon energy, either by removing fromthe occupied states in XPS, or by adding to the unoccupied f-states in BIS. Theresults show sizable differences in the apparent position of the f-statescompared to the f-band energy of the ground states. This result isfundamentally different from calculations assuming strong on-site correlationsince all calculations are based on DFT. Spin-orbit coupling and multipletsplittings are not included. The present simulation accounts for almost half ofthe difference between the f-level positions in the DFT ground states and theobserved f-level positions. The electronic specific heat at low T is compatiblewith the DFT ground state, where f-electrons often reside at the Fermi level.

The behavior of f-levels in HCP and BCC rare-earth elements in the ground state and in XPS and BIS spectroscopy from density-functional theory