Scherz, A.; Gross, E. K. U.; Appel, H.; Sorg, C.; Baberschke, K.; Wende, Heiko; Burke, K.:
Measuring the kernel of time-dependent density functional theory with X-ray absorption spectroscopy of 3d transition metals
2005
In: Physical Review Letters (aktuelle Jahrgänge), Band 95 (2005), S. 253006-1 - 253006-4
Artikel/Aufsatz in Zeitschrift2005Physik
Titel:
Measuring the kernel of time-dependent density functional theory with X-ray absorption spectroscopy of 3d transition metals
Autor(in):
Scherz, A.; Gross, E. K. U.; Appel, H.; Sorg, C.; Baberschke, K.; Wende, HeikoLSF; Burke, K.
Erscheinungsjahr
2005
DOI:

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. 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.