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.comp-phShow all
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physics.comp-ph2024
eminus -- Pythonic electronic structure theory
Wanja Timm Schulze, Sebastian Schwalbe, Kai Trepte +1
In current electronic structure research endeavors such as warm dense matter or machine learning applications, efficient development necessitates non-monolithic software, providing…
physics.comp-ph2022★ 12 cited
How good are recent density functionals for ground and excited states of one-electron systems?
Sebastian Schwalbe, Kai Trepte, Susi Lehtola
Sun et al. [J. Chem. Phys. 144, 191101 (2016)] suggested that common density functional approximations (DFAs) should exhibit large energy errors for excited states as a necessary c…