Accurate total energies from the adiabatic-connection fluctuation-dissipation theorem

In the context of inhomogeneous one-dimensional finite systems, recent numerical advances [Phys. Rev. B 103, 125155 (2021)] allow us to compute the exact coupling-constant dependent exchange-correlation kernel ...within linear response time-dependent density-functional theory. This permits an improv...

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Veröffentlicht in:	Physical review. B 2021-09, Vol.104 (12), p.1, Article 125126
Hauptverfasser:	Woods, N. D., Entwistle, M. T., Godby, R. W.
Format:	Artikel
Sprache:	eng
Schlagworte:	Adiabatic flow Context Density functional theory Kernels Mathematical analysis Orbitals Response time (computers) Theorems
Online-Zugang:	Volltext
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