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Journal Article (19)

  1. 1.
    Journal Article
    Rokaj, V.; Penz, M.; Sentef, M. A.; Ruggenthaler, M.; Rubio, A.: Quantum Electrodynamical Bloch Theory with Homogeneous Magnetic Fields. Physical Review Letters 123 (4), 047202 (2019)
  2. 2.
    Journal Article
    Penz, M.; Laestadius, A.; Tellgren, E. I.; Ruggenthaler, M.: Guaranteed Convergence of a Regularized Kohn-Sham Iteration in Finite Dimensions. Physical Review Letters 123 (3), 037401 (2019)
  3. 3.
    Journal Article
    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)
  4. 4.
    Journal Article
    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)
  5. 5.
    Journal Article
    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)
  6. 6.
    Journal Article
    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)
  7. 7.
    Journal Article
    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)
  8. 8.
    Journal Article
    Nielsen, S. E. B.; Ruggenthaler, M.; van Leeuwen, R.: Numerical construction of the density-potential mapping. European Physical Journal B 91 (10), 235 (2018)
  9. 9.
    Journal Article
    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)
  10. 10.
    Journal Article
    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)
  11. 11.
    Journal Article
    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) (2018)
  12. 12.
    Journal Article
    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)
  13. 13.
    Journal Article
    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)
  14. 14.
    Journal Article
    Dimitrov, T.; Flick, J.; Ruggenthaler, M.; Rubio, A.: Exact functionals for correlated electron-photon systems. New Journal of Physics 19 (2017)
  15. 15.
    Journal Article
    Ruggenthaler, M.: [Viewpoint:] Inducing Multiple Reactions with a Single Photon. Physics 10 (105) (2017)
  16. 16.
    Journal Article
    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)
  17. 17.
    Journal Article
    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)
  18. 18.
    Journal Article
    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)
  19. 19.
    Journal Article
    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)

Working Paper (4)

  1. 20.
    Working Paper
    Buchholz, F.; Theophilou, I.; Nielsen, S. E. B.; Ruggenthaler, M.; Rubio, A.: Reduced Density-Matrix Approach to Strong Matter-Photon Interaction. (2018), 39 pp.
 
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