Publications of H. Appel

Bonafé, F.; Albar, E. I.; Ohlmann, S. T.; Kosheleva, V.; Bustamante, C.; Troisi, F.; Rubio, A.; Appel, H.: Full minimal coupling Maxwell-TDDFT: An ab initio framework for light-matter interaction beyond the dipole approximation. Physical Review B 111 (8), 085114 (2025)

de la Pena, S.; Neufeld, O.; Tzur, M. E.; Cohen, O.; Appel, H.; Rubio, A.: Quantum Electrodynamics in High-Harmonic Generation: Multitrajectory Ehrenfest and Exact Quantum Analysis. Journal of Chemical Theory and Computation 21 (1), pp. 283 - 290 (2025)

Albar, E. I.; Bonafé, F.; Kosheleva, V.; Ohlmann, S. T.; Appel, H.; Rubio, A.: Time-resolved plasmon-assisted generation of optical-vortex pulses. Scientific Reports 13 (1), 14748 (2023)

Litman, Y.; Bonafé, F.; Akkoush, A.; Appel, H.; Rossi, M.: First-Principles Simulations of Tip Enhanced Raman Scattering Reveal Active Role of Substrate on High-Resolution Images. The Journal of Physical Chemistry Letters 14 (30), pp. 6850 - 6859 (2023)

Liu, S.; Bonafé, F.; Appel, H.; Rubio, A.; Wolf, M.; Kumagai, T.: Inelastic Light Scattering in the Vicinity of a Single-Atom Quantum Point Contact in a Plasmonic Picocavity. ACS Nano 17 (11), pp. 10172 - 10180 (2023)

Fuks, J. I.; Quinteiro Rosen, G. F.; Appel, H.; Tamborenea, P. I.: Probing many-body effects in harmonic traps with twisted light. Physical Review B 107 (8), L081111 (2023)

Welakuh, D.; Flick, J.; Ruggenthaler, M.; Appel, H.; Rubio, A.: Frequency-Dependent Sternheimer Linear-Response Formalism for Strongly Coupled Light–Matter Systems. Journal of Chemical Theory and Computation 18 (7), pp. 4354 - 4365 (2022)

Derrien, T. J.-Y.; Tancogne-Dejean, N.; Zhukov, V. P.; Appel, H.; Rubio, A.; Bulgakova, N. M.: Photoionization and transient Wannier-Stark ladder in silicon: First-principles simulations versus Keldysh theory. Physical Review B 104 (24), L241201 (2021)

Welakuh, D.; Ruggenthaler, M.; Tchenkoue Djouom, M.-L.; Appel, H.; Rubio, A.: Down-conversion processes in ab initio nonrelativistic quantum electrodynamics. Physical Review Research 3 (3), 033067 (2021)

Sidler, D.; Ruggenthaler, M.; Appel, H.; Rubio, A.: Chemistry in Quantum Cavities: Exact Results, the Impact of Thermal Velocities, and Modified Dissociation. The Journal of Physical Chemistry Letters 11 (18), pp. 7525 - 7530 (2020)

Mordovina, U.; Bungey, C.; Appel, H.; Knowles, P. J.; Rubio, A.; Manby, F. R.: Polaritonic coupled-cluster theory. Physical Review Research 2 (2), 023262 (2020)

Tancogne-Dejean, N.; Oliveira, M. J. T.; Andrade, X.; Appel, H.; Borca, C. H.; Le Breton, G.; Buchholz, F.; Castro, A.; Corni, S.; Correa, A. A. et al.; de Giovannini, U.; Delgado, A.; Eich, F. G.; Flick, J.; Gil, G.; Gomez, A.; Helbig, N.; Hübener, H.; Jestädt, R.; Jornet-Somoza, J.; Larsen, A. H.; Lebedeva, I. V.; Lüders, M.; Marques, M. A. L.; Ohlmann, S. T.; Pipolo, S.; Rampp, M.; Rozzi, C. A.; Strubbe, D. A.; Sato, S.; Schäfer, C.; Theophilou, I.; Welden, A.; Rubio, A.: 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)

Liu, C.; Kloppenburg, J.; Yao, Y.; Ren, X.; Appel, H.; Kanai, Y.; Blum, V.: All-electron ab initio Bethe-Salpeter equation approach to neutral excitations in molecules with numeric atom-centered orbitals. The Journal of Chemical Physics 152 (4), 044105 (2020)

Hoffmann, N.; Schäfer, C.; Säkkinen, N.; Rubio, A.; Appel, H.; Kelly, A.: Benchmarking semiclassical and perturbative methods for real-time simulations of cavity-bound emission and interference. The Journal of Chemical Physics 151 (24), 244113 (2019)

Flick, J.; Welakuh, D.; Ruggenthaler, M.; Appel, H.; Rubio, A.: Light–Matter Response in Nonrelativistic Quantum Electrodynamics. ACS Photonics 6 (11), pp. 2757 - 2778 (2019)

Covington, C.; Kidd, D.; Buckner, H.; Appel, H.; Varga, K.: Time propagation of the coupled Maxwell and Kohn-Sham equations using the Riemann-Silberstein formalism. Physical Review E 100 (5), 053301 (2019)

Mordovina, U.; Reinhard, T.; Theophilou, I.; Appel, H.; Rubio, A.: Self-Consistent Density-Functional Embedding: A Novel Approach for Density-Functional Approximations. Journal of Chemical Theory and Computation 15 (10), pp. 5209 - 5220 (2019)

Castro, A.; Appel, H.; Rubio, A.: Optimal control theory for quantum electrodynamics: an initial state problem. European Physical Journal B 92 (10), 223 (2019)

Hoffmann, N.; Schäfer, C.; Rubio, A.; Kelly, A.; Appel, H.: Capturing vacuum fluctuations and photon correlations in cavity quantum electrodynamics with multitrajectory Ehrenfest dynamics. Physical Review A 99 (6), 063819 (2019)

Reinhard, T.; Mordovina, U.; Hubig, C.; Kretchmer, J. S.; Schollwöck, U.; Appel, H.; Sentef, M. A.; Rubio, A.: Density-matrix embedding theory study of the one-dimensional Hubbard-Holstein model. Journal of Chemical Theory and Computation 15 (4), pp. 2221 - 2232 (2019)