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Journal of Physics. Condensed Matter : an Institute of Physics Journal|November 18, 2020
Black-box inhomogeneous preconditioning for self-consistent field iterations in density functional theoryMichael F Herbst, Antoine LevittFaraday Discussions|September 14, 2020
<i>A posteriori</i> error estimation for the non-self-consistent Kohn-Sham equationsMichael F Herbst, Antoine Levitt, Eric CancèsThe Journal of Chemical Physics|August 23, 2023
Computing photoionization spectra in Gaussian basis setsIvan Duchemin, Antoine LevittThe Journal of Chemical Physics|August 11, 2020
Quantifying the error of the core-valence separation approximationMichael F Herbst, Thomas FranssonThe Journal of Chemical Physics|September 9, 2018
Toward quantum-chemical method development for arbitrary basis functionsMichael F Herbst, Andreas Dreuw, James Emil AveryNpj Computational Materials|January 9, 2026
Algorithmic differentiation for plane-wave DFT: materials design, error control and learning model parametersNiklas Frederik Schmitz, Bruno Ploumhans, Michael F HerbstPhysical Review. E|May 20, 2022
Surrogate models for quantum spin systems based on reduced-order modelingMichael F Herbst, Benjamin Stamm, Stefan Wessel, et al.Physical Review. E|September 19, 2023
Reduced basis surrogates for quantum spin systems based on tensor networksPaul Brehmer, Michael F Herbst, Stefan Wessel, et al.The Journal of Chemical Physics|June 15, 2022
Photoionization and core resonances from range-separated density-functional theory: General formalism and example of the beryllium atomKarno Schwinn, Felipe Zapata, Antoine Levitt, et al.The Journal of Chemical Physics|December 31, 2022
Photoionization and core resonances from range-separated time-dependent density-functional theory for open-shell states: Example of the lithium atomJulien Toulouse, Karno Schwinn, Felipe Zapata, et al.Pageof 2