4.6 Article

Ab initio calculation of the exchange-correlation kernel in extended systems -: art. no. 165108

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PHYSICAL REVIEW B
卷 68, 期 16, 页码 -

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AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.68.165108

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We develop a method to calculate the polarizability of a many-electron system within Green's function theory in a similar way as within time-dependent density functional theory and apply it to Si and GaAs. The method joins the computational simplicity of the latter with the accuracy of the former approach. The resulting exchange-correlation many-body kernel f(xc)(FQP) and optical spectra are in good agreement with those obtained by the solution of the Bethe-Salpeter equation.

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