Exchange-correlation kernels for excited states in solids

K. Tatarczyk, A. Schindlmayr, M. Scheffler, Physical Review B 63 (2001).

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Journal Article | Published | English
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Abstract
The performance of several common approximations for the exchange-correlation kernel within time-dependent density-functional theory is tested for elementary excitations in the homogeneous electron gas. Although the adiabatic local-density approximation gives a reasonably good account of the plasmon dispersion, systematic errors are pointed out and traced to the neglect of the wave-vector dependence. Kernels optimized for atoms are found to perform poorly in extended systems due to an incorrect behavior in the long-wavelength limit, leading to quantitative deviations that significantly exceed the experimental error bars for the plasmon dispersion in the alkali metals.
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Journal Title
Physical Review B
Volume
63
Issue
23
Article Number
235106
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Tatarczyk K, Schindlmayr A, Scheffler M. Exchange-correlation kernels for excited states in solids. Physical Review B. 2001;63(23). doi:10.1103/PhysRevB.63.235106
Tatarczyk, K., Schindlmayr, A., & Scheffler, M. (2001). Exchange-correlation kernels for excited states in solids. Physical Review B, 63(23). https://doi.org/10.1103/PhysRevB.63.235106
@article{Tatarczyk_Schindlmayr_Scheffler_2001, title={Exchange-correlation kernels for excited states in solids}, volume={63}, DOI={10.1103/PhysRevB.63.235106}, number={23235106}, journal={Physical Review B}, publisher={American Physical Society}, author={Tatarczyk, Krzysztof and Schindlmayr, Arno and Scheffler, Matthias}, year={2001} }
Tatarczyk, Krzysztof, Arno Schindlmayr, and Matthias Scheffler. “Exchange-Correlation Kernels for Excited States in Solids.” Physical Review B 63, no. 23 (2001). https://doi.org/10.1103/PhysRevB.63.235106.
K. Tatarczyk, A. Schindlmayr, and M. Scheffler, “Exchange-correlation kernels for excited states in solids,” Physical Review B, vol. 63, no. 23, 2001.
Tatarczyk, Krzysztof, et al. “Exchange-Correlation Kernels for Excited States in Solids.” Physical Review B, vol. 63, no. 23, 235106, American Physical Society, 2001, doi:10.1103/PhysRevB.63.235106.
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