Publications of H. Appel

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)

Hoffmann, N.; Appel, H.; Rubio, A.; Maitra, N. T.: Light-matter interactions via the exact factorization approach. The European Physical Journal B: Condensend Matter Physics 91 (8), 180 (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)

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)

Lubasch, M.; Fuks, J. I.; Appel, H.; Rubio, A.; Cirac, J. I.; Bañuls, M.-C.: Systematic construction of density functionals based on matrix product state computations. New Journal of Physics 18 (8), 083039 (2016)

Dimitrov, T.; Appel, H.; Fuks, J. I.; Rubio, A.: Exact maps in density functional theory for lattice models. New Journal of Physics 18 (8), 083004 (2016)

Säkkinen, N.; Peng, Y.; Appel, H.; van Leeuwen, R.: Many-body Green’s function theory for electron-phonon interactions: The Kadanoff-Baym approach to spectral properties of the Holstein dimer. The Journal of Chemical Physics 143 (23), 234102 (2015)

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)

Pellegrini, C.; Flick, J.; Tokatly, I. V.; Appel, H.; Rubio, A.: Optimized Effective Potential for Quantum Electrodynamical Time-Dependent Density Functional Theory. Physical Review Letters 115 (9), 093001 (2015)

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)

Appel, H.; Rubio, A.: Multi-physics simulations with Octopus, High Performance Computing and Data Science in the Max Planck Society, (2021)

Albar, E. I.; Kosheleva, V.; Appel, H.; Rubio, A.; Bonafé, F.: High Harmonic Generation with Orbital Angular Momentum Beams: Beyond-dipole Corrections. (2025)

Konecny, L.; Kosheleva, V.; Appel, H.; Ruggenthaler, M.; Rubio, A.: Relativistic Linear Response in Quantum-Electrodynamical Density Functional Theory. (2024)