Group by:
Item Type |
YearNumber of items: 7.
Article in a journal
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.
Vol. 128
(2024)
Issue 26
.
- pp. 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.
Vol. 160
(2024)
Issue 18
.
- 181101.
ISSN 0021-9606
DOI: https://doi.org/10.1063/5.0204379
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: 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.
Vol. 14
(2023)
Issue 13
.
- pp. 3092-3102.
ISSN 1948-7185
DOI: https://doi.org/10.1021/acs.jpclett.3c00377
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.
Vol. 156
(2022)
Issue 10
.
- 104109.
ISSN 0021-9606
DOI: https://doi.org/10.1063/5.0082957
Brütting, Moritz ; Förster, Johannes ; Kümmel, Stephan:
Investigating Primary Charge Separation in the Reaction Center of Heliobacterium modesticaldum.
In: The Journal of Physical Chemistry B.
Vol. 125
(2021)
Issue 14
.
- pp. 3468-3475.
ISSN 1520-5207
DOI: https://doi.org/10.1021/acs.jpcb.0c10283
Brütting, Moritz ; Trepl, Thomas ; de las Heras, Daniel ; Schmidt, Matthias:
Superadiabatic Forces via the Acceleration Gradient in Quantum Many-Body Dynamics.
In: Molecules.
Vol. 24
(2019)
Issue 20
.
- 3660.
ISSN 1420-3049
DOI: https://doi.org/10.3390/molecules24203660
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