16 citations
Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.
- Center for Advanced Systems UnderstandingDE3 papers
- Friedrich Schiller University JenaDE3 papers
- Helmholtz-Zentrum Dresden-RossendorfDE3 papers
- TU Bergakademie FreibergDE2 papers
- Molecular Sciences Software InstituteUS1 paper
- Oklahoma State UniversityUS1 paper
- Taiwan Semiconductor Manufacturing Company (Taiwan)TW1 paper
- University of CalabriaIT1 paper
- University of HelsinkiFI1 paper
- University of PisaIT1 paper
Showing physics.chem-phShow all
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physics.chem-ph2024★ 4 cited
Ensemble Generalization of the Perdew-Zunger Self-Interaction Correction: a Way Out of Multiple Minima and Symmetry Breaking
Sebastian Schwalbe, Wanja Timm Schulze, Kai Trepte +1
The Perdew-Zunger (PZ) self-interaction correction (SIC) is an established tool to correct unphysical behavior in density functional approximations. Yet, PZ-SIC is well-known to so…
physics.chem-ph2023★ 7 cited
Bond formation insights into the Diels-Alder reaction: A bond perception and self-interaction perspective
Wanja Timm Schulze, Sebastian Schwalbe, Kai Trepte +3
The behavior of electrons during bond formation and breaking cannot commonly be accessed from experiments. Thus, bond perception is often based on chemical intuition or rule-based…