109 citations · 488 across the 24 of their papers we have counts for
25 papers
Orbital character and photoemission signatures of the A-pocket in infinite-layer nickelates
Leonard M. Verhoff, Michael Seidl, Liang Si +1
The orbital character of the so-called -pocket in infinite-layer nickelates remains under debate. We investigate bulk NdNiO using density-functional theory combined with dyn…
Large-Z atoms in the strong-interaction limit of DFT: Implications for gradient expansions and for the Lieb-Oxford bound
Kimberly J. Daas, Derk P. Kooi, Tarik Benyahia +2
We study numerically the strong-interaction limit of the exchange-correlation functional for neutral atoms and for Bohr atoms as the number of electrons increases. Using a compact…
Real space Mott-Anderson electron localization with long-range interactions: exact and approximate descriptions
Antoine Marie, Derk P. Kooi, Juri Grossi +4
Real materials always contain, to some extent, randomness in the form of defects or irregularities. It is known since the seminal work of Anderson that randomness can drive a metal…
The Lieb-Oxford bound and the optimal transport limit of DFT
Michael Seidl, Tarik Benyahia, Derk P. Kooi +1
We review and illustrate with several examples the connection between the search for lower bounds for the optimal constant in the Lieb-Oxford inequality and the optimal transport l…
Transient Uniform Electron Gases
Pierre-François Loos, Michael Seidl
The uniform electron gas (UEG), a hypothetical system with finite homogenous electron density composed by an infinite number of electrons in a box of infinite volume, is the practi…
Gradient expansions for the large-coupling strength limit of the Møller-Plesset adiabatic connection
Timothy J. Daas, Derk P. Kooi, Arthur J. A. F. Grooteman +2
The adiabatic connection that has as weak-interaction expansion the Møller-Plesset perturbation series has been recently shown to have a large coupling-strength expansion in terms…