Measuring the kernel of time-dependent density functional theory with X-ray absorption spectroscopy of 3d transition metals -: art. no. 253006

被引：16

作者：

Scherz, A

Gross, EKU

Appel, H

Sorg, C

Baberschke, K

Wende, H

Burke, K

机构：

[1] Free Univ Berlin, Fachbereich Phys, D-14195 Berlin, Germany

[2] Rutgers State Univ, Dept Chem & Biol Chem, Piscataway, NJ 08854 USA

来源：

PHYSICAL REVIEW LETTERS | 2005年 / 95卷 / 25期

基金：

美国国家科学基金会;

关键词：

D O I：

10.1103/PhysRevLett.95.253006

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

The 2p-3d core-hole interaction in the L-2,L-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.

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页数：4

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