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The Journal of Chemical Physics|July 11, 2024
Efficient all-electron hybrid density functionals for atomistic simulations beyond 10 000 atomsSebastian Kokott, Florian Merz, Yi Yao, et al.
The Journal of Chemical Physics|July 17, 2020
The CECAM electronic structure library and the modular software development paradigmMicael J T Oliveira, Nick Papior, Yann Pouillon, et al.
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