Publikationen

Publikationen von C. Schäfer

Zeitschriftenartikel (13)

2021
Zeitschriftenartikel
C. Schäfer, F. Buchholz, M. Penz, M. Ruggenthaler, und A. Rubio, 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
S. Latini, D. Shin, S. Sato, C. Schäfer, U. de Giovannini, H. Hübener, und A. Rubio, 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
D. Shin, S. Latini, C. Schäfer, S. Sato, U. de Giovannini, H. Hübener, und A. Rubio, Quantum paraelectric phase of SrTiO3 from first principles, Physical Review B 104 (6), L060103 (2021).
Zeitschriftenartikel
H. Hübener, U. de Giovannini, C. Schäfer, J. Andberger, M. Ruggenthaler, J. Faist, und A. Rubio, Engineering quantum materials with chiral optical cavities, Nature Materials 20 (4), 438–442 (2021).
Zeitschriftenartikel
T. S. Haugland, C. Schäfer, E. Ronca, A. Rubio, und H. Koch, Intermolecular interactions in optical cavities: An ab initio QED study, The Journal of Chemical Physics 154 (9), 094113 (2021).
Zeitschriftenartikel
D. Sidler, C. Schäfer, M. Ruggenthaler, und A. Rubio, Polaritonic Chemistry: Collective Strong Coupling Implies Strong Local Modification of Chemical Properties, The Journal of Physical Chemistry Letters 12 (1), 508–516 (2021).
2020
Zeitschriftenartikel
C. Schäfer, M. Ruggenthaler, V. Rokaj, und A. Rubio, Relevance of the Quadratic Diamagnetic and Self-Polarization Terms in Cavity Quantum Electrodynamics, ACS Photonics 7 (4), 975–990 (2020).
Zeitschriftenartikel
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, und A. Rubio, 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
N. Hoffmann, C. Schäfer, N. Säkkinen, A. Rubio, H. Appel, und A. Kelly, 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
N. Hoffmann, C. Schäfer, A. Rubio, A. Kelly, und H. Appel, Capturing vacuum fluctuations and photon correlations in cavity quantum electrodynamics with multitrajectory Ehrenfest dynamics, Physical Review A 99 (6), 063819 (2019).
Zeitschriftenartikel
C. Schäfer, M. Ruggenthaler, H. Appel, und A. Rubio, 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), 4883–4892 (2019).
2018
Zeitschriftenartikel
C. Schäfer, M. Ruggenthaler, und A. Rubio, Ab initio nonrelativistic quantum electrodynamics: Bridging quantum chemistry and quantum optics from weak to strong coupling, Physical Review A 98, 043801 (2018).
Zeitschriftenartikel
J. Flick, C. Schäfer, M. Ruggenthaler, H. Appel, und A. Rubio, Ab Initio Optimized Effective Potentials for Real Molecules in Optical Cavities: Photon Contributions to the Molecular Ground State, ACS Photonics 5 (3), 992–1005 (2018).

Poster (1)

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

Hochschulschrift - Doktorarbeit (1)

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

Forschungspapier (4)

2021
Forschungspapier
D. Sidler, M. Ruggenthaler, C. Schäfer, E. Ronca, und A. Rubio, A perspective on ab initio modeling of polaritonic chemistry: The role of non-equilibrium effects and quantum collectivity. 27-Aug-2021.
Forschungspapier
D. Shin, S. Latini, C. Schäfer, S. Sato, E. Baldini, U. de Giovannini, H. Hübener, und A. Rubio, Simulating terahertz field-induced transient ferroeletricity in quantum paraelectric SrTiO3. 07-Juni-2021.
Forschungspapier
C. Schäfer, J. Flick, E. Ronca, P. Narang, und A. Rubio, Shining Light on the Microscopic Resonant Mechanism Responsible for Cavity-Mediated Chemical Reactivity. 26-Apr-2021.
2018
Forschungspapier
S. E. B. Nielsen, C. Schäfer, M. Ruggenthaler, und A. Rubio, Dressed-Orbital Approach to Cavity Quantum Electrodynamics and Beyond. 02-Dez-2018.
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