Publikationen

Publikationen von C. Schäfer

Zeitschriftenartikel (15)

2022
Zeitschriftenartikel
Shin, D.; Latini, S.; Schäfer, C.; Sato, S.; Baldini, E.; de Giovannini, U.; Hübener, H.; Rubio, A.: Simulating Terahertz Field-Induced Ferroelectricity in Quantum Paraelectric SrTiO3. Physical Review Letters 129 (16), 167401 (2022)
Zeitschriftenartikel
Sidler, D.; Ruggenthaler, M.; Schäfer, C.; Ronca, E.; Rubio, A.: A perspective on ab initio modeling of polaritonic chemistry: The role of non-equilibrium effects and quantum collectivity. The Journal of Chemical Physics 156 (23), 230901 (2022)
2021
Zeitschriftenartikel
Schäfer, C.; Buchholz, F.; Penz, M.; Ruggenthaler, M.; Rubio, A.: Making ab initio QED functional(s): Nonperturbative and photon-free effective frameworks for strong light–matter coupling. Proceedings of the National Academy of Sciences of the United States of America 118 (41), e2110464118 (2021)
Zeitschriftenartikel
Latini, S.; Shin, D.; Sato, S.; Schäfer, C.; de Giovannini, U.; Hübener, H.; Rubio, A.: The ferroelectric photo ground state of SrTiO3: Cavity materials engineering. Proceedings of the National Academy of Sciences of the United States of America 118 (31), e2105618118 (2021)
Zeitschriftenartikel
Shin, D.; Latini, S.; Schäfer, C.; Sato, S.; de Giovannini, U.; Hübener, H.; Rubio, A.: Quantum paraelectric phase of SrTiO3 from first principles. Physical Review B 104 (6), L060103 (2021)
Zeitschriftenartikel
Hübener, H.; de Giovannini, U.; Schäfer, C.; Andberger, J.; Ruggenthaler, M.; Faist, J.; Rubio, A.: Engineering quantum materials with chiral optical cavities. Nature Materials 20 (4), S. 438 - 442 (2021)
Zeitschriftenartikel
Haugland, T. S.; Schäfer, C.; Ronca, E.; Rubio, A.; Koch, H.: Intermolecular interactions in optical cavities: An ab initio QED study. The Journal of Chemical Physics 154 (9), 094113 (2021)
Zeitschriftenartikel
Sidler, D.; Schäfer, C.; Ruggenthaler, M.; Rubio, A.: Polaritonic Chemistry: Collective Strong Coupling Implies Strong Local Modification of Chemical Properties. The Journal of Physical Chemistry Letters 12 (1), S. 508 - 516 (2021)
2020
Zeitschriftenartikel
Schäfer, C.; Ruggenthaler, M.; Rokaj, V.; Rubio, A.: Relevance of the Quadratic Diamagnetic and Self-Polarization Terms in Cavity Quantum Electrodynamics. ACS Photonics 7 (4), S. 975 - 990 (2020)
Zeitschriftenartikel
Tancogne-Dejean, N.; Oliveira, M. J. T.; Andrade, X.; Appel, H.; Borca, C. H.; Le Breton, G.; Buchholz, F.; Castro, A.; Corni, S.; Correa, A. A. et al.; de Giovannini, U.; Delgado, A.; Eich, F. G.; Flick, J.; Gil, G.; Gomez, A.; Helbig, N.; Hübener, H.; Jestädt, R.; Jornet-Somoza, J.; Larsen, A. H.; Lebedeva, I. V.; Lüders, M.; Marques, M. A. L.; Ohlmann, S. T.; Pipolo, S.; Rampp, M.; Rozzi, C. A.; Strubbe, D. A.; Sato, S.; Schäfer, C.; Theophilou, I.; Welden, A.; Rubio, A.: Octopus, a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite systems. The Journal of Chemical Physics 152 (12), 124119 (2020)
2019
Zeitschriftenartikel
Hoffmann, N.; Schäfer, C.; Säkkinen, N.; Rubio, A.; Appel, H.; Kelly, A.: Benchmarking semiclassical and perturbative methods for real-time simulations of cavity-bound emission and interference. The Journal of Chemical Physics 151 (24), 244113 (2019)
Zeitschriftenartikel
Hoffmann, N.; Schäfer, C.; Rubio, A.; Kelly, A.; Appel, H.: Capturing vacuum fluctuations and photon correlations in cavity quantum electrodynamics with multitrajectory Ehrenfest dynamics. Physical Review A 99 (6), 063819 (2019)
Zeitschriftenartikel
Schäfer, C.; Ruggenthaler, M.; Appel, H.; Rubio, A.: Modification of excitation and charge transfer in cavity quantum-electrodynamical chemistry. Proceedings of the National Academy of Sciences of the United States of America 116 (11), S. 4883 - 4892 (2019)
2018
Zeitschriftenartikel
Schäfer, C.; Ruggenthaler, M.; Rubio, A.: Ab initio nonrelativistic quantum electrodynamics: Bridging quantum chemistry and quantum optics from weak to strong coupling. Physical Review A 98, 043801 (2018)
Zeitschriftenartikel
Flick, J.; Schäfer, C.; Ruggenthaler, M.; Appel, H.; Rubio, A.: Ab Initio Optimized Effective Potentials for Real Molecules in Optical Cavities: Photon Contributions to the Molecular Ground State. ACS Photonics 5 (3), S. 992 - 1005 (2018)

Poster (1)

2015
Poster
Schäfer, C.; Flick, J.; Appel, H.; Pellegrini, C.; Rubio, A.: Krieger-Li-Iafrate approximation to the optimized effective potential approach in density functional theory for quantum electrodynamics. Green's function methods: the next generation II, CECAM-HQ-EPFL, Lausanne, Switzerland (2015)

Hochschulschrift - Doktorarbeit (1)

2020
Hochschulschrift - Doktorarbeit
Schäfer, C.: On the interface of quantum electrodynamics and electronic structure theory: Cavity QED. Dissertation, 120 S., Universität Hamburg, Hamburg (2020)

Forschungspapier (2)

2022
Forschungspapier
Schäfer, C.; Flick, J.; Ronca, E.; Narang, P.; Rubio, A.: Shining Light on the Microscopic Resonant Mechanism Responsible for Cavity-Mediated Chemical Reactivity. (2022), 17 S.
2019
Forschungspapier
Nielsen, S. E. B.; Schäfer, C.; Ruggenthaler, M.; Rubio, A.: Dressed-Orbital Approach to Cavity Quantum Electrodynamics and Beyond. (2019), 19 S.
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