Measuring the kernel of time-dependent density functional theory with X-ray absorption spectroscopy of 3d transition metals
In: Physical Review Letters, Vol. 95 (2005), No. 25, pp. 253006-1 - 253006-4
Title in English:
Measuring the kernel of time-dependent density functional theory with X-ray absorption spectroscopy of 3d transition metals
Author:
Scherz, A.;Gross, E. K. U.;Appel, H.;Sorg, C.;Baberschke, K.;Wende, HeikoUDE
- GND
- 12115226X
- LSF ID
- 47290
- ORCID
- 0000-0001-8395-3541
- Other
- connected with university
Year of publication:
2005
Open Access?:
Open Access
Language of text:
English
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.