All-Electron BSE@GW Method for K-Edge Core Electron Excitation Energies.
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DOI: 10.1021/acs.jctc.1c01180
Abstract: We present an accurate computational approach to calculate absolute K-edge core electron excitation energies as measured by X-ray absorption spectroscopy. Our approach employs an all-electron Bethe-Salpeter equation (BSE) formalism based on GW quasiparticle energies (BSE@GW)… read more here.
Keywords: bse method; excitation; electron; excitation energies ... See more keywords