Not finding it? Sign in to also search OpenAlex live.
-
LOBSTER : Local orbital projections, atomic charges, and chemical‐bonding analysis from projector‐augmented‐wave‐based density‐functional theory2020 Journal of Computational Chemistry article Materials Science Machine Learning in Materials Science Open access
Ryky Nelson, Christina Ertural, Janine George, Volker L. Deringer, Geoffroy Hautier, Richard Dronskowski
1,582citations -
Getting the Manifold Right: The Crucial Role of Orbital Resolution in DFT+ U for Mixed d–f Electron Compounds2026 Journal of Chemical Theory and Computation article Physics and Astronomy Rare-earth and actinide compounds Open access
Kinga Warda, Eric Macke, Iurii Timrov, Lucio Colombi Ciacchi, Piotr M. Kowalski
2citations -
Guaranteed a posteriori bounds for eigenvalues and eigenvectors: Multiplicities and clusters2020 Mathematics of Computation article Engineering Advanced Numerical Methods in Computational Mathematics Open access
Éric Cancès, Geneviève Dusson, Yvon Maday, Benjamin Stamm, Martin Vohralı́k
23citations -
Post-processing of the planewave approximation of Schrödinger equations. Part I: linear operators2020 IMA Journal of Numerical Analysis article Mathematics Numerical methods for differential equations Open access
Éric Cancès, Geneviève Dusson, Yvon Maday, Benjamin Stamm, Martin Vohralı́k
7citations
14 results