Institutions of the University of Bayreuth
Chair Theoretical Physics IV

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Number of items at this level: 19.

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

Hammon, Sebastian:
Photophysics and Electronic Structure of Molecular Catalysts and Chromophores.
2022 . - X, 213 P.
( Doctoral thesis, 2022 , University of Bayreuth, Bayreuther Graduiertenschule für Mathematik und Naturwissenschaften - BayNAT)

Biega, Raisa-Ioana:
Structural and optoelectronic properties of heterogeneous metal-halide perovskites from first principles.
Bayreuth , 2022 . - v, 135 P.
( Doctoral thesis, 2022 , University of Bayreuth, Bayreuther Graduiertenschule für Mathematik und Naturwissenschaften - BayNAT)

Lebeda, Timo ; Aschebrock, Thilo ; Kümmel, Stephan:
First steps towards achieving both ultranonlocality and a reliable description of electronic binding in a meta-generalized gradient approximation.
In: Physical Review Research. Vol. 4 (2022) Issue 2 . - No. 023061.
ISSN 2643-1564
DOI der Verlagsversion: https://doi.org/10.1103/PhysRevResearch.4.023061

Hammon, Sebastian ; Leppert, Linn ; Kümmel, Stephan:
Magnetic moment quenching in small Pd clusters in solution.
In: The European Physical Journal D. Vol. 75 (2021) . - No. 309.
ISSN 1434-6079
DOI der Verlagsversion: https://doi.org/10.1140/epjd/s10053-021-00322-1

Hofmann, Fabian:
The Sternheimer Approach to Linear Response Time-Dependent Density Functional Theory.
2020 . - X,123 P.
( Doctoral thesis, 2020 , University of Bayreuth, Faculty of Mathematics, Physics and Computer Sciences)

Klarner, Mara ; Hammon, Sebastian ; Feulner, Sebastian ; Kümmel, Stephan ; Kador, Lothar ; Kempe, Rhett:
Visible Light-driven Dehydrogenation of Benzylamine under Liberation of H2.
In: ChemCatChem. Vol. 12 (2020) Issue 18 . - pp. 4593-4599.
ISSN 1867-3899
DOI der Verlagsversion: https://doi.org/10.1002/cctc.202000329

Aschebrock, Thilo:
Ultranonlocality in Density Functional Theory.
Bayreuth , 2019 . - x, 153 P.
( Doctoral thesis, 2019 , University of Bayreuth, Faculty of Mathematics, Physics and Computer Sciences)

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)

Spreitler, Florian:
Structural dynamics of(bio-) macromolecules probed by optical spectroscopy.
Bayreuth , 2017 . - IV, 30 P.
( Doctoral thesis, 2016 , University of Bayreuth, Faculty of Mathematics, Physics and Computer Sciences)

Dauth, Matthias:
Predicting photoemission : From the single-particle interpretation to the many-electron picture.
Bayreuth , 2016 . - X, 220 P.
( Doctoral thesis, 2016 , University of Bayreuth, Bayreuther Graduiertenschule für Mathematik und Naturwissenschaften - BayNAT)

Schmidt, Tobias:
Constraint-Guided Construction of Exchange-Correlation Approximations in Density-Functional Theory.
Bayreuth , 2016 . - IX, 190 P.
( Doctoral thesis, 2016 , University of Bayreuth, Faculty of Mathematics, Physics and Computer Sciences)

Schaffhauser, Philipp:
Ladungstransport in molekularen Systemen und Visualisierung molekularer Strukturen.
Bayreuth , 2016 . - XII, 163 P.
( Doctoral thesis, 2016 , University of Bayreuth, Bayreuther Graduiertenschule für Mathematik und Naturwissenschaften - BayNAT)

Karolewski, Andreas:
Describing Charge Transfer in Extended Donor-Acceptor Systems with Density Functional Theory.
Bayreuth , 2013
( Doctoral thesis, 2013 , University of Bayreuth, Bayreuther Graduiertenschule für Mathematik und Naturwissenschaften - BayNAT)

Karolewski, Andreas ; Neubig, Anne ; Thelakkat, Mukundan ; Kümmel, Stephan:
Optical absorption in donor-acceptor polymers : alternating vs. random.
In: Physical Chemistry Chemical Physics. Vol. 15 (2013) Issue 46 . - pp. 20016-20025.
ISSN 1463-9076
DOI der Verlagsversion: https://doi.org/10.1039/c3cp52739e

Gräf, Katja ; Körzdörfer, Thomas ; Kümmel, Stephan ; Thelakkat, Mukundan:
Synthesis of donor-substituted meso-phenyl and meso-ethynylphenyl BODIPYs with broad absorption.
In: New Journal of Chemistry. Vol. 37 (2013) Issue 5 . - pp. 1417-1426.
ISSN 1144-0546
DOI der Verlagsversion: https://doi.org/10.1039/c3nj00157a

Kaiser, Julian ; Leppert, Linn ; Welz, Hannes ; Polzer, Frank ; Wunder, Stefanie ; Wanderka, Nelia ; Albrecht, Martin ; Lunkenbein, Thomas ; Breu, Josef ; Kümmel, Stephan ; Lu, Yan ; Ballauff, Matthias:
Catalytic activity of nanoalloys from gold and palladium.
In: Physical Chemistry Chemical Physics. Vol. 14 (2012) Issue 18 . - pp. 6487-6495.
ISSN 1463-9076
DOI der Verlagsversion: https://doi.org/10.1039/c2cp23974d

Bernet, Andreas ; Albuquerque, Rodrigo Q. ; Behr, Marina ; Hoffmann, Sebastian T. ; Schmidt, Hans-Werner:
Formation of a supramolecular chromophore: a spectroscopic and theoretical study.
In: Soft Matter. Vol. 8 (2012) Issue 1 . - pp. 66-69.
ISSN 1744-683X
DOI der Verlagsversion: https://doi.org/10.1039/c1sm06789c

This list was generated on Sun Nov 10 01:38:40 2024 CET.
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