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Many-body Diagrammatic Expansion for the Exchange-Correlation Kernel in Time-Dependent Density Functional Theory

I. V. Tokatly·R. Stubner·O. Pankratov
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Abstract

A diagrammatic expansion for the dynamic exchange-correlation kernel f_xc of time dependent density functional theory is formulated. It is shown that f_xc has no singularities at Kohn-Sham transition energies in every order of the perturbation theory. However, it may diverge with the system size in extended systems. This signifies that any approximate perturbative substitute for f_xc requires a consistent perturbative treatment of the equation for the response function to avoid uncontrollable errors in the many-body corrections to excitations energies.

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I. V. Tokatly, R. Stubner, O. Pankratov. 2002-02-28. Many-body Diagrammatic Expansion for the Exchange-Correlation Kernel in Time-Dependent Density Functional Theory. https://doi.org/10.1103/physrevb.65.113107

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