Publikationen von C. Schäfer

Schäfer, C.; Flick, J.; Ronca, E.; Narang, P.; Rubio, A.: Shining light on the microscopic resonant mechanism responsible for cavity-mediated chemical reactivity. Nature Communications 13 (1), 7817 (2022)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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

Nielsen, S. E. B.; Schäfer, C.; Ruggenthaler, M.; Rubio, A.: Dressed-Orbital Approach to Cavity Quantum Electrodynamics and Beyond. (2019)