Exchange and correlation kernels at the resonance frequency: Implications for excitation energies in density-functional theory

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Abstract

Specific matrix elements of exchange and correlation kernels in time-dependent density-functional theory are computed. The knowledge of these matrix elements not only constrains approximate time-dependent functionals. It also allows one to link different practical approaches to excited states, based either on density-functional theory or on many-body perturbation theory, despite the approximations that have been performed to derive them. © 1999 The American Physical Society.

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Gonze, X., & Scheffler, M. (1999). Exchange and correlation kernels at the resonance frequency: Implications for excitation energies in density-functional theory. Physical Review Letters, 82(22), 4416–4419. https://doi.org/10.1103/PhysRevLett.82.4416

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