101 citations · 304 across the 17 of their papers we have counts for
Showing 2022 · cond-mat.mtrl-sciShow all
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cond-mat.mtrl-sci2022★ 2 cited
Koopmans spectral functionals in periodic-boundary conditions
Nicola Colonna, Riccardo De Gennaro, Edward Linscott +1
Koopmans spectral functionals aim to describe simultaneously ground state properties and charged excitations of atoms, molecules, nanostructures and periodic crystals. This is achi…
cond-mat.mtrl-sci2022★ 101 cited
High-throughput determination of Hubbard U and Hund J values for transition metal oxides via linear response formalism
Guy C. Moore, Matthew K. Horton, Alexander M. Ganose +4
DFT+U provides a convenient, cost-effective correction for the self-interaction error (SIE) that arises when describing correlated electronic states using conventional approximate…