Efficient all-electron hybrid density functionals for atomistic simulations beyond 10 000 atoms.

Kokott S, Merz F, Yao Y, Carbogno C, Rossi M, Havu V, Rampp M, Scheffler M, Blum V.

DOI: 10.1063/5.0208103
Published: 2024-07-01
Container: J Chem Phys
Publisher: Not recorded
Open access: no

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Cite this work

BibTeX

@article{allodium:10.1063/5.0208103,
  title = {Efficient all-electron hybrid density functionals for atomistic simulations beyond 10 000 atoms.},
  author = {Kokott S and  Merz F and  Yao Y and  Carbogno C and  Rossi M and  Havu V and  Rampp M and  Scheffler M and  Blum V.},
  year = {2024},
  journal = {J Chem Phys},
  doi = {10.1063/5.0208103},
  url = {https://doi.org/10.1063/5.0208103}
}

RIS

TY  - JOUR
TI  - Efficient all-electron hybrid density functionals for atomistic simulations beyond 10 000 atoms.
AU  - Kokott S
AU  -  Merz F
AU  -  Yao Y
AU  -  Carbogno C
AU  -  Rossi M
AU  -  Havu V
AU  -  Rampp M
AU  -  Scheffler M
AU  -  Blum V.
PY  - 2024
JO  - J Chem Phys
DO  - 10.1063/5.0208103
UR  - https://doi.org/10.1063/5.0208103
ER  -

APA

S, K., F, M., Y, Y., C, C., M, R., V, H., M, R., M, S., & V., B. (2024). Efficient all-electron hybrid density functionals for atomistic simulations beyond 10 000 atoms.. J Chem Phys. https://doi.org/10.1063/5.0208103

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europe-pmc · retrieved 2026-11-10T06:42:58.762Z