Publications "Schelter, Ingo"

Schelter, Ingo ; Förster, Johannes ; Richter, Rian ; Schild, Nils ; Kümmel, Stephan:
Analyzing energy transfer with density-functional theory in real time : Time scales for the energy transfer between B850 bacteriochlorophylls.
In: The Journal of Chemical Physics. Vol. 163 (2025) Issue 8 . - 084116.
ISSN 1089-7690
DOI der Verlagsversion: https://doi.org/10.1063/5.0279181

Aschebrock, Thilo ; Lebeda, Timo ; Brütting, Moritz ; Richter, Rian ; Schelter, Ingo ; Kümmel, Stephan:
Exact exchange-like electric response from a meta-generalized gradient approximation : A semilocal realization of ultranonlocality.
In: The Journal of Chemical Physics. Vol. 159 (2023) Issue 23 . - 234107.
ISSN 0021-9606
DOI der Verlagsversion: https://doi.org/10.1063/5.0173776

Richter, Rian ; Aschebrock, Thilo ; Schelter, Ingo ; Kümmel, Stephan:
Meta-generalized gradient approximations in time dependent generalized Kohn–Sham theory : Importance of the current density correction.
In: The Journal of Chemical Physics. Vol. 159 (2023) Issue 12 . - 124117.
ISSN 0021-9606
DOI der Verlagsversion: https://doi.org/10.1063/5.0167972

Schelter, Ingo:
Excitation dynamics in molecular systems from efficient grid-based real-time density functional theory.
Bayreuth , 2017 . - 167 P.
( Doctoral thesis, 2017 , University of Bayreuth, Bayreuther Graduiertenschule für Mathematik und Naturwissenschaften - BayNAT)