Energy Technologies Institute

most citedGetting the manifold right: The crucial role of orbital resolution in DFT+U for mixed d-f electron compounds

1 citations

researchers with a paper here

Piotr M. Kowalski2 profiles2 · h 5
Eric Macke1 · h 3
Iurii Timrov1 · h 2
Kinga Warda1 · h 1
L. Colombi Ciacchi1 · h 19

collaborating institutions

Jülich Aachen Research AllianceDE2 papers
Forschungszentrum JülichDE1 paper
Hochschule BremenDE1 paper
Materials Processing (United States)US1 paper
Paul Scherrer InstituteCH1 paper
RWTH Aachen UniversityDE1 paper
University of BremenDE1 paper

2 papers

astro-ph.SR2026★ 1 cited

Complex hydrogen chemical equilibrium and Gaia low mass problem in cool white dwarfs

Piotr M. Kowalski

Large Gaia data set shows substantial misfit between models and observation for cool white dwarfs with $T_{eff} < 6000 K$ , resulting in severe underestimation of masses of t…

cond-mat.mtrl-sci2026★ 1 cited

Getting the manifold right: The crucial role of orbital resolution in DFT+U for mixed d-f electron compounds

Kinga Warda, Eric Macke, Iurii Timrov +2

Accurately modeling compounds with partially filled $d$ and $f$ shells remains a hard challenge for density-functional theory, due to large self-interaction errors stemming from lo…