Publications of M. Ruggenthaler

Laestadius, A.; Tellgren, E. I.; Penz, M.; Ruggenthaler, M.; Kvaal, S.; Helgaker, T.: Kohn–Sham Theory with Paramagnetic Currents: Compatibility and Functional Differentiability. Journal of Chemical Theory and Computation 15 (7), pp. 4003 - 4020 (2019)

Giesbertz, K. J. H.; Ruggenthaler, M.: One-body reduced density-matrix functional theory in finite basis sets at elevated temperatures. Physics Reports: Review Section of Physics Letters 806, pp. 1 - 47 (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), pp. 4883 - 4892 (2019)

Jestädt, R.; Ruggenthaler, M.; Oliveira, M. J. T.; Rubio, A.; Appel, H.: Light-matter interactions within the Ehrenfest–Maxwell–Pauli–Kohn–Sham framework: fundamentals, implementation, and nano-optical applications. Advances in Physics 68 (4), pp. 225 - 333 (2019)

Sentef, M. A.; Ruggenthaler, M.; Rubio, A.: Cavity quantum-electrodynamical polaritonically enhanced electron-phonon coupling and its influence on superconductivity. Science Advances 4 (11), eaau6969 (2018)

Laestadius, A.; Penz, M.; Tellgren, E. I.; Ruggenthaler, M.; Kvaal, S.; Helgaker, T.: Generalized Kohn–Sham iteration on Banach spaces. The Journal of Chemical Physics 149 (16), 164103 (2018)

Nielsen, S. E. B.; Ruggenthaler, M.; van Leeuwen, R.: Numerical construction of the density-potential mapping. European Physical Journal B 91 (10), 235 (2018)

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)

Theophilou, I.; Buchholz, F.; Eich, F. G.; Ruggenthaler, M.; Rubio, A.: Kinetic-Energy Density-Functional Theory on a Lattice. Journal of Chemical Theory and Computation 14 (8), pp. 4072 - 4087 (2018)

Ruggenthaler, M.; Tancogne-Dejean, N.; Flick, J.; Appel, H.; Rubio, A.: From a quantum-electrodynamical light–matter description to novel spectroscopies. Nature Reviews Chemistry 2 (3), UNSP 0118 (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), pp. 992 - 1005 (2018)

Rokaj, V.; Welakuh, D.; Ruggenthaler, M.; Rubio, A.: Light–matter interaction in the long-wavelength limit: no ground-state without dipole self-energy. Journal of Physics B: Atomic, Molecular and Optical Physics 51 (3), 034005 (2018)

Dimitrov, T.; Flick, J.; Ruggenthaler, M.; Rubio, A.: Exact functionals for correlated electron-photon systems. New Journal of Physics 19, 113036 (2017)

Ruggenthaler, M.: [Viewpoint:] Inducing Multiple Reactions with a Single Photon. Physics 10, p. 105 (2017)

Flick, J.; Ruggenthaler, M.; Appel, H.; Rubio, A.: Atoms and molecules in cavities, from weak to strong coupling in quantum-electrodynamics (QED) chemistry. Proceedings of the National Academy of Sciences of the United States of America 114 (12), pp. 3026 - 3034 (2017)

Flick, J.; Appel, H.; Ruggenthaler, M.; Rubio, A.: Cavity Born-Oppenheimer Approximation for Correlated Electron-Nuclear-Photon Systems. Journal of Chemical Theory and Computation 13 (4), pp. 1616 - 1625 (2017)

Fuks, J. I.; Nielsen, S. E. B.; Ruggenthaler, M.; Maitra, N. T.: Time-dependent density functional theory beyond Kohn–Sham Slater determinants. Physical Chemistry Chemical Physics 18 (31), pp. 20976 - 20985 (2016)

Flick, J.; Ruggenthaler, M.; Appel, H.; Rubio, A.: Kohn–Sham approach to quantum electrodynamical density-functional theory: Exact time-dependent effective potentials in real space. Proceedings of the National Academy of Sciences of the United States of America 112 (50), pp. 15285 - 15290 (2015)

Lu, I.-T.; Shin, D.; Svendsen, M. K.; Latini, S.; Hübener, H.; Ruggenthaler, M.; Rubio, A.: Cavity engineering of solid-state materials without external driving. (2025)

Caruso, F.; Sentef, M. A.; Attaccalite, C.; Bonitz, M.; Draxl, C.; De Giovannini, U.; Eckstein, M.; Ernstorfer, R.; Fechner, M.; Grüning, M. et al.; Hübener, H.; Joost, J.-P.; Juraschek, D. M.; Karrasch, C.; Kennes, D. M.; Latini, S.; Lu, I.-T.; Neufeld, O.; Perfetto, E.; Rettig, L.; Pela, R. R.; Rubio, A.; Rudzinski, J. F.; Ruggenthaler, M.; Sangalli, D.; Schüler, M.; Shallcross, S.; Sharma, S.; Stefanucci, G.; Werner, P.: The 2025 Roadmap to Ultrafast Dynamics: Frontiers of Theoretical and Computational Modelling. (2025)