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arxiv: cond-mat/0511016 · v1 · submitted 2005-11-01 · ❄️ cond-mat.mtrl-sci

Measuring the kernel of time-dependent density functional theory with X-ray absorption spectroscopy of 3d transition metals

classification ❄️ cond-mat.mtrl-sci
keywords absorptiondensityfunctionalkernelmetalstheorytime-dependenttransition
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The 2p-3d core hole interaction in the L2,3 absorption spectra of the 3d transition metals is treated within time-dependent density functional theory (TDDFT). A simple three-level model explains the origin of the strong deviations from the one-particle branching ratio and yields matrix elements of the unknown exchange-correlation (XC) kernel directly from experiment.

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