101 citations · 304 across the 17 of their papers we have counts for
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Testing Koopmans spectral functionals on the analytically-solvable Hooke's atom
Yannick Schubert, Nicola Marzari, Edward Linscott
Koopmans spectral functionals are a class of orbital-density-dependent functionals designed to accurately predict spectroscopic properties. They do so markedly better than their Ko…
Many body study of iron(III) bound human serum transferrin
Hovan Lee, Cedric Weber, Edward B. Linscott
Transferrins are proteins responsible for transporting metal ions in all vertebrates. However, the iron binding properties of transferrins remain poorly understood. Iron, as a tran…
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…
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…