Veröffentlichungen "Keller, Elisabeth"

2025

Keller, Elisabeth ; Blum, Volker ; Reuter, Karsten ; Margraf, Johannes T.:
Exploring atom-pairwise and many-body dispersion corrections for the BEEF-vdW functional.
In: The Journal of Chemical Physics. Bd. 162 (2025) Heft 7 . - 074111.
ISSN 0021-9606
DOI: https://doi.org/10.1063/5.0248728

2024

Keller, Elisabeth ; Morgenstein, Jack ; Reuter, Karsten ; Margraf, Johannes T.:
Small basis set density functional theory method for cost-efficient, large-scale condensed matter simulations.
In: The Journal of Chemical Physics. Bd. 161 (2024) Heft 7 . - 074104.
ISSN 0021-9606
DOI: https://doi.org/10.1063/5.0222649

2022

Keller, Elisabeth ; Tsatsoulis, Theodoros ; Reuter, Karsten ; Margraf, Johannes T.:
Regularized Second-Order Correlation Methods for Extended Systems.
In: The Journal of Chemical Physics. Bd. 156 (2022) . - 024106.
ISSN 0021-9606
DOI: https://doi.org/10.1063/5.0078119