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

A. Scherz·E. K. U. Gross·H. Appel·C. Sorg·K. Baberschke·H. Wende·K. Burke
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Abstract

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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A. Scherz, E. K. U. Gross, H. Appel, C. Sorg, K. Baberschke, H. Wende, K. Burke. 2005-11-01. Measuring the kernel of time-dependent density functional theory with X-ray absorption spectroscopy of 3d transition metals. https://doi.org/10.1103/physrevlett.95.253006

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