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Efficient All-electron Hybrid Density Functionals for Atomistic Simulations Beyond 10,000 Atoms

Publication ,  Preprint
Kokott, S; Merz, F; Yao, Y; Carbogno, C; Rossi, M; Havu, V; Rampp, M; Scheffler, M; Blum, V
March 15, 2024

Duke Scholars

Publication Date

March 15, 2024
 

Citation

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Kokott, S., Merz, F., Yao, Y., Carbogno, C., Rossi, M., Havu, V., … Blum, V. (2024). Efficient All-electron Hybrid Density Functionals for Atomistic Simulations Beyond 10,000 Atoms.
Kokott, Sebastian, Florian Merz, Yi Yao, Christian Carbogno, Mariana Rossi, Ville Havu, Markus Rampp, Matthias Scheffler, and Volker Blum. “Efficient All-electron Hybrid Density Functionals for Atomistic Simulations Beyond 10,000 Atoms,” March 15, 2024.
Kokott S, Merz F, Yao Y, Carbogno C, Rossi M, Havu V, et al. Efficient All-electron Hybrid Density Functionals for Atomistic Simulations Beyond 10,000 Atoms. 2024.
Kokott S, Merz F, Yao Y, Carbogno C, Rossi M, Havu V, Rampp M, Scheffler M, Blum V. Efficient All-electron Hybrid Density Functionals for Atomistic Simulations Beyond 10,000 Atoms. 2024.

Publication Date

March 15, 2024