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Phys. Rev. B 76, 205103 (2007) [6 pages]

Including nonlocality in the exchange-correlation kernel from time-dependent current density functional theory: Application to the stopping power of electron liquids

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V. U. Nazarov1, J. M. Pitarke2,3, Y. Takada4, G. Vignale5, and Y.-C. Chang1
1Research Center for Applied Sciences, Academia Sinica, Taipei 115, Taiwan
2CIC nanoGUNE Consolider, Mikeletegi Pasealekua 56, E-2009 Donostia, Basque Country
3Materia Kondentsatuaren Fisika Saila, UPV/EHU and Unidad Fisica de Materiales, CSIC-UPV/EHU, 644 Posta Kutxatila, E-48080 Bilbo, Basque Country
4Institute for Solid State Physics, University of Tokyo, Kashiwa, Chiba 277-8581, Japan
5Department of Physics and Astronomy, University of Missouri, Columbia, Missouri 65211, USA

Received 2 March 2007; revised 17 September 2007; published 9 November 2007

We develop a scheme for building the scalar exchange-correlation (XC) kernel of time-dependent density functional theory (TDDFT) from the tensorial kernel of time-dependent current density functional theory (TDCDFT) and the Kohn-Sham current density response function. Resorting to the local approximation to the kernel of TDCDFT results in a nonlocal approximation to the kernel of TDDFT, which is free of the contradictions that plague the standard local density approximation (LDA) to TDDFT. As an application of this general scheme, we calculate the dynamical XC contribution to the stopping power of electron liquids for slow ions to find that our results are in considerably better agreement with experiment than those obtained using TDDFT in the conventional LDA.

© 2007 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevB.76.205103
DOI:
10.1103/PhysRevB.76.205103
PACS:
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