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• W3013371856 abstract "Small-wavevector excitations in Coulomb-interacting systems can be decomposed into the high-energy collective longitudinal plasmon and the low-energy single-electron excitations. At the critical wavevector and corresponding frequency where the plasmon branch merges with the single-electron excitation region, the collective energy of the plasmon dissipates into single electron-hole excitations. The jellium model provides a reasonable description of the electron-energy-loss spectrum (EELS) of metals close to the free-electron limit. The random phase approximation (RPA) is exact in the high-density limit but can capture the plasmonic dispersion reasonably even for densities with rs > 1. RPA and all beyond-RPA methods investigated here, result in a wrong infinite plasmon lifetime for a wavevector smaller than the critical one where the plasmon dispersion curve runs into particle-hole excitations. Exchange-correlation kernel corrections to RPA modify the plasmon dispersion curve. There is however a large difference in the construction and form of the kernels investigated earlier. Our current work introduces recent model exchange-only and exchange-correlation kernels and discusses the relevance of some exact constraints in the construction of the kernel. We show that, because the plasmon dispersion samples a range of wavevectors smaller than the range sampled by the correlation energy, different kernels can make a strong difference for the correlation energy and a weak difference for the plasmon dispersion. This work completes our understanding about the plasmon dispersion in realistic metals, such as Cs, where a negative plasmon dispersion has been observed. We find only positive plasmon dispersion in jellium at the density for Cs." @default.
• W3013371856 created "2020-04-03" @default.
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• W3013371856 date "2020-05-20" @default.
• W3013371856 modified "2023-10-17" @default.
• W3013371856 title "Understanding plasmon dispersion in nearly free electron metals: Relevance of exact constraints for exchange-correlation kernels within time-dependent density functional theory" @default.
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• W3013371856 doi "https://doi.org/10.1103/physrevb.101.195137" @default.
• W3013371856 hasPublicationYear "2020" @default.
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