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cond-mat.mtrl-sci2021★ 4 cited
Accurate Total Energies from the Adiabatic-Connection Fluctuation-Dissipation Theorem
Nick D. Woods, Michael T. Entwistle, Rex W. Godby
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 dependen…
cond-mat.mtrl-sci2021★ 8 cited
Insights From Exact Exchange-Correlation Kernels
N. D. Woods, M. T. Entwistle, R. W. Godby
The exact exchange-correlation (xc) kernel of linear response time-dependent density functional theory is computed over a wide range of frequencies, for thr…