Publikationen von C. Schäfer

Zeitschriftenartikel (12)

2021
Zeitschriftenartikel
The ferroelectric photo ground state of SrTiO3: Cavity materials engineering
S. Latini, D. Shin, S. Sato, C. Schäfer, U. de Giovannini, H. Hübener, A. Rubio
Proceedings of the National Academy of Sciences of the United States of America 118 (31), e2105618118 (2021)
MPG.PuRe
DOI
publisher-version
supplementary-material
Zeitschriftenartikel
Quantum paraelectric phase of SrTiO3 from first principles
D. Shin, S. Latini, C. Schäfer, S. Sato, U. de Giovannini, H. Hübener, A. Rubio
Physical Review B 104 (6), L060103 (2021)
MPG.PuRe
DOI
publisher-version
supplementary-material
Zeitschriftenartikel
Engineering quantum materials with chiral optical cavities
H. Hübener, U. de Giovannini, C. Schäfer, J. Andberger, M. Ruggenthaler, J. Faist, A. Rubio
Nature Materials 20 (4), 438–442 (2021)
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DOI
Zeitschriftenartikel
Intermolecular interactions in optical cavities: An ab initio QED study
T. S. Haugland, C. Schäfer, E. Ronca, A. Rubio, H. Koch
The Journal of Chemical Physics 154 (9), 094113 (2021)
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DOI
pre-print
supplementary-material
Zeitschriftenartikel
Polaritonic Chemistry: Collective Strong Coupling Implies Strong Local Modification of Chemical Properties
D. Sidler, C. Schäfer, M. Ruggenthaler, A. Rubio
The Journal of Physical Chemistry Letters 12 (1), 508–516 (2021)
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DOI
supplementary-material
publisher-version
2020
Zeitschriftenartikel
Relevance of the Quadratic Diamagnetic and Self-Polarization Terms in Cavity Quantum Electrodynamics
C. Schäfer, M. Ruggenthaler, V. Rokaj, A. Rubio
ACS Photonics 7 (4), 975–990 (2020)
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DOI
publisher-version
Zeitschriftenartikel
Octopus, a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite systems
N. Tancogne-Dejean, M. J. T. Oliveira, X. Andrade, H. Appel, C. H. Borca, G. Le Breton, F. Buchholz, A. Castro, S. Corni, A. A. Correa, U. de Giovannini, A. Delgado, F. G. Eich, J. Flick, G. Gil, A. Gomez, N. Helbig, H. Hübener, R. Jestädt, J. Jornet-Somoza, A. H. Larsen, I. V. Lebedeva, M. Lüders, M. A. L. Marques, S. T. Ohlmann, S. Pipolo, M. Rampp, C. A. Rozzi, D. A. Strubbe, S. Sato, C. Schäfer, I. Theophilou, A. Welden, A. Rubio
The Journal of Chemical Physics 152 (12), 124119 (2020)
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DOI
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ZIP
2019
Zeitschriftenartikel
Benchmarking semiclassical and perturbative methods for real-time simulations of cavity-bound emission and interference
N. Hoffmann, C. Schäfer, N. Säkkinen, A. Rubio, H. Appel, A. Kelly
The Journal of Chemical Physics 151 (24), 244113 (2019)
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DOI
publisher-version
Zeitschriftenartikel
Capturing vacuum fluctuations and photon correlations in cavity quantum electrodynamics with multitrajectory Ehrenfest dynamics
N. Hoffmann, C. Schäfer, A. Rubio, A. Kelly, H. Appel
Physical Review A 99 (6), 063819 (2019)
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DOI
publisher-version
Zeitschriftenartikel
Modification of excitation and charge transfer in cavity quantum-electrodynamical chemistry
C. Schäfer, M. Ruggenthaler, H. Appel, A. Rubio
Proceedings of the National Academy of Sciences of the United States of America 116 (11), 4883–4892 (2019)
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DOI
publisher-version
supplementary-material
2018
Zeitschriftenartikel
Ab initio nonrelativistic quantum electrodynamics: Bridging quantum chemistry and quantum optics from weak to strong coupling
C. Schäfer, M. Ruggenthaler, A. Rubio
Physical Review A 98, 043801 (2018)
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DOI
publisher-version
Zeitschriftenartikel
Ab Initio Optimized Effective Potentials for Real Molecules in Optical Cavities: Photon Contributions to the Molecular Ground State
J. Flick, C. Schäfer, M. Ruggenthaler, H. Appel, A. Rubio
ACS Photonics 5 (3), 992–1005 (2018)
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DOI
publisher-version

Poster (1)

2015
Poster
Krieger-Li-Iafrate approximation to the optimized effective potential approach in density functional theory for quantum electrodynamics
C. Schäfer, J. Flick, H. Appel, C. Pellegrini, A. Rubio
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Full
Full

Hochschulschrift - Doktorarbeit (1)

2020
Hochschulschrift - Doktorarbeit
On the interface of quantum electrodynamics and electronic structure theory: Cavity QED
C. Schäfer
Universität Hamburg, 2020
MPG.PuRe
publisher-version

Forschungspapier (5)

2021
Forschungspapier
A perspective on ab initio modeling of polaritonic chemistry: The role of non-equilibrium effects and quantum collectivity
D. Sidler, M. Ruggenthaler, C. Schäfer, E. Ronca, A. Rubio
(2021)
MPG.PuRe
pre-print
Forschungspapier
Making ab initio QED functional(s): Non-perturbative and photon-free effective frameworks for strong light-matter coupling
C. Schäfer, F. Buchholz, M. Penz, M. Ruggenthaler, A. Rubio
(2021)
MPG.PuRe
pre-print
Forschungspapier
Simulating terahertz field-induced transient ferroeletricity in quantum paraelectric SrTiO3
D. Shin, S. Latini, C. Schäfer, S. Sato, E. Baldini, U. de Giovannini, H. Hübener, A. Rubio
(2021)
MPG.PuRe
pre-print
Forschungspapier
Shining Light on the Microscopic Resonant Mechanism Responsible for Cavity-Mediated Chemical Reactivity
C. Schäfer, J. Flick, E. Ronca, P. Narang, A. Rubio
(2021)
MPG.PuRe
pre-print
2018
Forschungspapier
Dressed-Orbital Approach to Cavity Quantum Electrodynamics and Beyond
S. E. B. Nielsen, C. Schäfer, M. Ruggenthaler, A. Rubio
(2018)
MPG.PuRe
pre-print
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