Ab initio density response and local field factor of warm dense hydrogen von Dornheim, Tobias, Schwalbe, Sebastian, Tolias, Panagiotis, Böhme, Maximilian P., Moldabekov, Zhandos A., Vorberger, Jan

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Ultrafast Heating-Induced Suppression of d‑Band Dominance in the Electronic Excitation Spectrum of Cuprum von Moldabekov, Zhandos, Gawne, Thomas D., Schwalbe, Sebastian, Preston, Thomas R., Vorberger, Jan, Dornheim, Tobias

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porE: A code for deterministic and systematic analyses of porosities von Trepte, Kai, Schwalbe, Sebastian

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Theoretical and experimental investigations of 129Xe NMR chemical shift isotherms in metal–organic frameworks von Trepte, Kai, Schwalbe, Sebastian, Schaber, Jana, Krause, Simon, Senkovska, Irena, Kaskel, Stefan, Brunner, Eike, Kortus, Jens, Seifert, Gotthard

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Fermi‐Löwdin orbital self‐interaction corrected density functional theory: Ionization potentials and enthalpies of formation von Schwalbe, Sebastian, Hahn, Torsten, Liebing, Simon, Trepte, Kai, Kortus, Jens

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How good are recent density functionals for ground and excited states of one-electron systems? von Schwalbe, Sebastian, Trepte, Kai, Lehtola, Susi

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Ensemble Generalization of the Perdew-Zunger Self-Interaction Correction: A Way Out of Multiple Minima and Symmetry Breaking von Schwalbe, Sebastian, Schulze, Wanja Timm, Trepte, Kai, Lehtola, Susi

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Electronic and magnetic properties of DUT-8(Ni) von Trepte, Kai, Schwalbe, Sebastian, Seifert, Gotthard

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Ab Initio Path Integral Monte Carlo Simulations of the Uniform Electron Gas on Large Length Scales von Dornheim, Tobias, Schwalbe, Sebastian, Moldabekov, Zhandos A., Vorberger, Jan, Tolias, Panagiotis

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Testing Self‐Interaction Correction for Molecules in Solution von Kraus, Jakob, Schwalbe, Sebastian, Trepte, Kai, Kortus, Jens

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PyFLOSIC: Python-based Fermi–Löwdin orbital self-interaction correction von Schwalbe, Sebastian, Fiedler, Lenz, Kraus, Jakob, Kortus, Jens, Trepte, Kai, Lehtola, Susi

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Screening for high-spin metal organic frameworks (MOFs): density functional theory study on DUT-8(M1,M2) (with Mi = V,…,Cu) von Schwalbe, Sebastian, Trepte, Kai, Seifert, Gotthard, Kortus, Jens

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Ab initio path integral Monte Carlo simulations of warm dense two-component systems without fixed nodes: Structural properties von Dornheim, Tobias, Schwalbe, Sebastian, Böhme, Maximilian P., Moldabekov, Zhandos A., Vorberger, Jan, Tolias, Panagiotis

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Stretched or noded orbital densities and self-interaction correction in density functional theory von Shahi, Chandra, Bhattarai, Puskar, Wagle, Kamal, Santra, Biswajit, Schwalbe, Sebastian, Hahn, Torsten, Kortus, Jens, Jackson, Koblar A., Peralta, Juan E., Trepte, Kai, Lehtola, Susi, Nepal, Niraj K., Myneni, Hemanadhan, Neupane, Bimal, Adhikari, Santosh, Ruzsinszky, Adrienn, Yamamoto, Yoh, Baruah, Tunna, Zope, Rajendra R., Perdew, John P.

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Bond formation insights into the Diels–Alder reaction: A bond perception and self-interaction perspective von Schulze, Wanja Timm, Schwalbe, Sebastian, Trepte, Kai, Croy, Alexander, Kortus, Jens, Gräfe, Stefanie

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PyFLOSIC: Python-based Fermi–Löwdin orbital self-interaction correction von Schwalbe, Sebastian, Fiedler, Lenz, Kraus, Jakob, Kortus, Jens, Trepte, Kai, Lehtola, Susi

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Bound-State Breaking and the Importance of Thermal Exchange–Correlation Effects in Warm Dense Hydrogen von Moldabekov, Zhandos, Schwalbe, Sebastian, Böhme, Maximilian P., Vorberger, Jan, Shao, Xuecheng, Pavanello, Michele, Graziani, Frank R., Dornheim, Tobias

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Correction: Electronic and magnetic properties of DUT-8(Ni) von Trepte, Kai, Schwalbe, Sebastian, Seifert, Gotthard

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Interpretation and Automatic Generation of Fermi‐Orbital Descriptors von Schwalbe, Sebastian, Trepte, Kai, Fiedler, Lenz, Johnson, Alex I., Kraus, Jakob, Hahn, Torsten, Peralta, Juan E., Jackson, Koblar A., Kortus, Jens

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Chemical bonding theories as guides for self-interaction corrected solutions: Multiple local minima and symmetry breaking von Trepte, Kai, Schwalbe, Sebastian, Liebing, Simon, Schulze, Wanja T., Kortus, Jens, Myneni, Hemanadhan, Ivanov, Aleksei V., Lehtola, Susi

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