Veröffentlichungen "Brütting, Moritz"

2024

Brütting, Moritz ; Bahmann, Hilke ; Kümmel, Stephan:
Combining Local Range Separation and Local Hybrids : A Step in the Quest for Obtaining Good Energies and Eigenvalues from One Functional.
In: The Journal of Physical Chemistry A. Bd. 128 (2024) Heft 26 . - S. 5212-5223.
ISSN 1520-5215
DOI: https://doi.org/10.1021/acs.jpca.4c02787

Brütting, Moritz ; Bahmann, Hilke ; Kümmel, Stephan:
Predicting fundamental gaps accurately from density functional theory with non-empirical local range separation.
In: The Journal of Chemical Physics. Bd. 160 (2024) Heft 18 . - 181101.
ISSN 0021-9606
DOI: https://doi.org/10.1063/5.0204379

2023

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. Bd. 159 (2023) Heft 23 . - 234107.
ISSN 0021-9606
DOI: https://doi.org/10.1063/5.0173776

Brütting, Moritz ; Förster, Johannes ; Kümmel, Stephan:
Understanding Primary Charge Separation in the Heliobacterial Reaction Center.
In: The Journal of Physical Chemistry Letters. Bd. 14 (2023) Heft 13 . - S. 3092-3102.
ISSN 1948-7185
DOI: https://doi.org/10.1021/acs.jpclett.3c00377

2022

Brütting, Moritz ; Bahmann, Hilke ; Kümmel, Stephan:
Hybrid functionals with local range separation : Accurate atomization energies and reaction barrier heights.
In: The Journal of Chemical Physics. Bd. 156 (2022) Heft 10 . - 104109.
ISSN 0021-9606
DOI: https://doi.org/10.1063/5.0082957

2021

Brütting, Moritz ; Förster, Johannes ; Kümmel, Stephan:
Investigating Primary Charge Separation in the Reaction Center of Heliobacterium modesticaldum.
In: The Journal of Physical Chemistry B. Bd. 125 (2021) Heft 14 . - S. 3468-3475.
ISSN 1520-5207
DOI: https://doi.org/10.1021/acs.jpcb.0c10283

2019

Brütting, Moritz ; Trepl, Thomas ; de las Heras, Daniel ; Schmidt, Matthias:
Superadiabatic Forces via the Acceleration Gradient in Quantum Many-Body Dynamics.
In: Molecules. Bd. 24 (2019) Heft 20 . - 3660.
ISSN 1420-3049
DOI: https://doi.org/10.3390/molecules24203660