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

Phys Rev Lett. 2005 Dec 16;95(25):253006. doi: 10.1103/PhysRevLett.95.253006. Epub 2005 Dec 16.

Abstract

The 2p-3d core-hole interaction in the L2.3 absorption spectra of the transition metals is treated within time-dependent density functional theory. 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 kernel directly from experiment.