Publikationen

Publikationen von H. Appel

Zeitschriftenartikel (24)

2021
Zeitschriftenartikel
D. Welakuh, M. Ruggenthaler, M.-L. Tchenkoue Djouom, H. Appel, und A. Rubio, Down-conversion processes in ab initio nonrelativistic quantum electrodynamics, Physical Review Research 3 (3), 033067 (2021).
2020
Zeitschriftenartikel
D. Sidler, M. Ruggenthaler, H. Appel, und A. Rubio, Chemistry in Quantum Cavities: Exact Results, the Impact of Thermal Velocities, and Modified Dissociation, The Journal of Physical Chemistry Letters 11 (18), 7525–7530 (2020).
Zeitschriftenartikel
U. Mordovina, C. Bungey, H. Appel, P. J. Knowles, A. Rubio, und F. R. Manby, Polaritonic coupled-cluster theory, Physical Review Research 2 (2), 023262 (2020).
Zeitschriftenartikel
N. Tancogne-Dejean, M. J. T. Oliveira, X. Andrade, H. Appel, C. H. Borca, G. Le Breton, F. Buchholz, A. Castro, S. Corni, A. A. Correa, U. de Giovannini, A. Delgado, F. G. Eich, J. Flick, G. Gil, A. Gomez, N. Helbig, H. Hübener, R. Jestädt, J. Jornet-Somoza, A. H. Larsen, I. V. Lebedeva, M. Lüders, M. A. L. Marques, S. T. Ohlmann, S. Pipolo, M. Rampp, C. A. Rozzi, D. A. Strubbe, S. Sato, C. Schäfer, I. Theophilou, A. Welden, und A. Rubio, 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).
Zeitschriftenartikel
C. Liu, J. Kloppenburg, Y. Yao, X. Ren, H. Appel, Y. Kanai, und V. Blum, 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).
2019
Zeitschriftenartikel
N. Hoffmann, C. Schäfer, N. Säkkinen, A. Rubio, H. Appel, und A. Kelly, Benchmarking semiclassical and perturbative methods for real-time simulations of cavity-bound emission and interference, The Journal of Chemical Physics 151 (24), 244113 (2019).
Zeitschriftenartikel
J. Flick, D. Welakuh, M. Ruggenthaler, H. Appel, und A. Rubio, Light–Matter Response in Nonrelativistic Quantum Electrodynamics, ACS Photonics 6 (11), 2757–2778 (2019).
Zeitschriftenartikel
C. Covington, D. Kidd, H. Buckner, H. Appel, und K. Varga, Time propagation of the coupled Maxwell and Kohn-Sham equations using the Riemann-Silberstein formalism, Physical Review E 100 (5), 053301 (2019).
Zeitschriftenartikel
U. Mordovina, T. Reinhard, I. Theophilou, H. Appel, und A. Rubio, Self-Consistent Density-Functional Embedding: A Novel Approach for Density-Functional Approximations, Journal of Chemical Theory and Computation 15 (10), 5209–5220 (2019).
Zeitschriftenartikel
A. Castro, H. Appel, und A. Rubio, Optimal control theory for quantum electrodynamics: an initial state problem, European Physical Journal B 92 (10), 223 (2019).
Zeitschriftenartikel
N. Hoffmann, C. Schäfer, A. Rubio, A. Kelly, und H. Appel, Capturing vacuum fluctuations and photon correlations in cavity quantum electrodynamics with multitrajectory Ehrenfest dynamics, Physical Review A 99 (6), 063819 (2019).
Zeitschriftenartikel
T. Reinhard, U. Mordovina, C. Hubig, J. S. Kretchmer, U. Schollwöck, H. Appel, M. A. Sentef, und A. Rubio, Density-matrix embedding theory study of the one-dimensional Hubbard-Holstein model, Journal of Chemical Theory and Computation 15 (4), 2221–2232 (2019).
Zeitschriftenartikel
C. Schäfer, M. Ruggenthaler, H. Appel, und A. Rubio, 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).
Zeitschriftenartikel
R. Jestädt, M. Ruggenthaler, M. J. T. Oliveira, A. Rubio, und H. Appel, Light-matter interactions within the Ehrenfest–Maxwell–Pauli–Kohn–Sham framework: fundamentals, implementation, and nano-optical applications, Advances in Physics 68 (4), 225–333 (2019).
2018
Zeitschriftenartikel
N. Hoffmann, H. Appel, A. Rubio, und N. T. Maitra, Light-matter interactions via the exact factorization approach, The European Physical Journal B: Condensend Matter Physics 91 (8), 180 (2018).
Zeitschriftenartikel
M. Ruggenthaler, N. Tancogne-Dejean, J. Flick, H. Appel, und A. Rubio, From a quantum-electrodynamical light–matter description to novel spectroscopies, Nature Reviews Chemistry 2 (3), UNSP 0118 (2018).
Zeitschriftenartikel
J. Flick, C. Schäfer, M. Ruggenthaler, H. Appel, und A. Rubio, 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).
2017
Zeitschriftenartikel
J. Flick, M. Ruggenthaler, H. Appel, und A. Rubio, 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).
Zeitschriftenartikel
J. Flick, H. Appel, M. Ruggenthaler, und A. Rubio, Cavity Born-Oppenheimer Approximation for Correlated Electron-Nuclear-Photon Systems, Journal of Chemical Theory and Computation 13 (4), 1616–1625 (2017).
2016
Zeitschriftenartikel
M. Lubasch, J. I. Fuks, H. Appel, A. Rubio, J. I. Cirac, und M.-C. Bañuls, Systematic construction of density functionals based on matrix product state computations, New Journal of Physics 18 (8), 083039 (2016).
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