Zeitschriftenartikel (19)

  1. 2020
    All-electron ab initio Bethe-Salpeter equation approach to neutral excitations in molecules with numeric atom-centered orbitals
    C. Liu, J. Kloppenburg, Y. Yao, X. Ren, H. Appel, Y. Kanai, V. Blum
    The Journal of Chemical Physics 152 (4), 044105 (2020)
  2. Zeitschriftenartikel
    Light-matter interactions within the Ehrenfest–Maxwell–Pauli–Kohn–Sham framework: fundamentals, implementation, and nano-optical applications
    Advances in Physics 68 (4), 225–333 (2020)
  3. 2019
    Light–Matter Response in Nonrelativistic Quantum Electrodynamics
    ACS Photonics 6 (11), 2757–2778 (2019)
  4. Zeitschriftenartikel
    Time propagation of the coupled Maxwell and Kohn-Sham equations using the Riemann-Silberstein formalism
    C. Covington, D. Kidd, H. Buckner, H. Appel, K. Varga
    Physical Review E 100 (5), 053301 (2019)
  5. Zeitschriftenartikel
    Self-Consistent Density-Functional Embedding: A Novel Approach for Density-Functional Approximations
    Journal of Chemical Theory and Computation 15 (10), 5209–5220 (2019)
  6. Zeitschriftenartikel
    Optimal control theory for quantum electrodynamics: an initial state problem
    A. Castro, H. Appel, A. Rubio
    European Physical Journal B 92 (10), 223 (2019)
  7. Zeitschriftenartikel
    Capturing vacuum fluctuations and photon correlations in cavity quantum electrodynamics with multitrajectory Ehrenfest dynamics
    Physical Review A 99 (6), 063819 (2019)
  8. Zeitschriftenartikel
    Density-matrix embedding theory study of the one-dimensional Hubbard-Holstein model
    T. Reinhard, U. Mordovina, C. Hubig, J. S. Kretchmer, U. Schollwöck, H. Appel, M. A. Sentef, A. Rubio
    Journal of Chemical Theory and Computation 15 (4), 2221–2232 (2019)
  9. Zeitschriftenartikel
    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)
  10. 2018
    Light-matter interactions via the exact factorization approach
    N. Hoffmann, H. Appel, A. Rubio, N. T. Maitra
    The European Physical Journal B: Condensend Matter Physics 91 (8), 180 (2018)
  11. Zeitschriftenartikel
    From a quantum-electrodynamical light–matter description to novel spectroscopies
    Nature Reviews Chemistry 2 (3), UNSP 0118 (2018)
  12. Zeitschriftenartikel
    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)
  13. 2017
    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), 3026–3034 (2017)
  14. Zeitschriftenartikel
    Cavity Born-Oppenheimer Approximation for Correlated Electron-Nuclear-Photon Systems
    Journal of Chemical Theory and Computation 13 (4), 1616–1625 (2017)
  15. 2016
    Systematic construction of density functionals based on matrix product state computations
    New Journal of Physics 18 (8), 083039 (2016)
  16. Zeitschriftenartikel
    Exact maps in density functional theory for lattice models
    New Journal of Physics 18 (8), 083004 (2016)
  17. 2015
    Many-body Green’s function theory for electron-phonon interactions: The Kadanoff-Baym approach to spectral properties of the Holstein dimer
    N. Säkkinen, Y. Peng, H. Appel, R. van Leeuwen
    The Journal of Chemical Physics 143 (23), 234102 (2015)
  18. Zeitschriftenartikel
    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), 15285–15290 (2015)
  19. Zeitschriftenartikel
    Optimized Effective Potential for Quantum Electrodynamical Time-Dependent Density Functional Theory
    C. Pellegrini, J. Flick, I. V. Tokatly, H. Appel, A. Rubio
    Physical Review Letters 115 (9), 093001 (2015)

Poster (1)

  1. 2015
    Krieger-Li-Iafrate approximation to the optimized effective potential approach in density functional theory for quantum electrodynamics
    C. Schäfer, J. Flick, H. Appel, C. Pellegrini, A. Rubio
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