Publications

2019

Schelter, Ingo; Förster, Johannes; Gardiner, Alastair T.; Roszak, Aleksander W.; Cogdell, Richard J.; Ullmann, G. Matthias; de Queiroz, Thiago Branquinho; Kümmel, Stephan
Assessing density functional theory in real-time and real-space as a tool for studying bacterio ...
in The Journal of Chemical Physics volume 151 (2019) issue 13
doi:10.1063/1.5116779 ...

Hofmann, Fabian; Schelter, Ingo; Kümmel, Stephan
Efficiently evaluating the Krieger-Li-Iafrate and common-energy-denominator approximations in t ...
in Physical Review A volume 99 (2019) issue 2
doi:10.1103/PhysRevA.99.022507 ...

Aschebrock, Thilo; Kümmel, Stephan
Exploring local range separation : The role of spin scaling and one-electron self-interaction
in The Journal of Chemical Physics volume 151 (2019) issue 15
doi:10.1063/1.5121731 ...

Tilgner, Dominic; Klarner, Mara; Hammon, Sebastian; Friedrich, Martin; Verch, Andreas; de Jonge, Niels; Kümmel, Stephan; Kempe, Rhett
H₂-Generation from Alcohols by the MOF-Based Noble Metal-Free Photocatalyst Ni/CdS/TiO₂@MIL-101 ...
in Australian Journal of Chemistry volume 72 (2019) issue 10. - page 842-847
doi:10.1071/CH19255 ...

Aschebrock, Thilo; Kümmel, Stephan
Ultranonlocality and accurate band gaps from a meta-generalized gradient approximation
in Physical Review Research volume 1 (2019) issue 3
doi:10.1103/PhysRevResearch.1.033082 ...