Including nonlocality in exchange-correlation kernel from time-dependent current density functional theory: Application to the stopping power of electron liquids - Condensed Matter > Materials ScienceReportar como inadecuado




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Abstract: We develop a scheme for building the scalar exchange-correlation xc kernelof time-dependent density functional theory TDDFT from the tensorial kernelof time-dependent {\em current} density functional theory TDCDFT and theKohn-Sham current density response function. Resorting to the localapproximation to the kernel of TDCDFT results in a nonlocal approximation tothe kernel of TDDFT, which is free of the contradictions that plague thestandard local density approximation LDA to TDDFT. As an application of thisgeneral scheme, we calculate the dynamical xc contribution to the stoppingpower of electron liquids for slow ions to find that our results are inconsiderably better agreement with experiment than those obtained using TDDFTin the conventional LDA.



Autor: V. U. Nazarov, J. M. Pitarke, Y. Takada, G. Vignale, Y.-C. Chang

Fuente: https://arxiv.org/







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