548 citations
- University of SheffieldGB14 papers
- University College LondonGB5 papers
- University of CambridgeGB4 papers
- ARC Centre of Excellence for Engineered Quantum SystemsAU3 papers
- California Institute of TechnologyUS3 papers
- Delft University of TechnologyNL3 papers
- University of OxfordGB3 papers
- Amazon (United States)US2 papers
- Cambridge Quantum Computing (United Kingdom)GB2 papers
- Columbia UniversityUS2 papers
- Harvard UniversityUS2 papers
- Joint Center for Quantum Information and Computer ScienceUS2 papers
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cond-mat.mtrl-sci2023★ 275 cited
GPAW: An open Python package for electronic-structure calculations
Jens Jørgen Mortensen, Ask Hjorth Larsen, Mikael Kuisma +44
We review the GPAW open-source Python package for electronic structure calculations. GPAW is based on the projector-augmented wave method and can solve the self-consistent density…
cond-mat.mtrl-sci2023★ 24 cited
Electronic excitations of the charged nitrogen-vacancy center in diamond obtained using time-independent variational density functional calculations
Aleksei V. Ivanov, Yorick L. A. Schmerwitz, Gianluca Levi +1
Elucidation of the mechanism for optical spin initialization of point defects in solids in the context of quantum applications requires an accurate description of the excited elect…