Zeitschriftenartikel (23)

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)
Polaritonic coupled-cluster theory
U. Mordovina, C. Bungey, H. Appel, P. J. Knowles, A. Rubio, F. R. Manby
Physical Review Research 2 (2), 023262 (2020)
Octopus, a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite systems
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, A. Rubio
The Journal of Chemical Physics 152 (12), 124119 (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)
Benchmarking semiclassical and perturbative methods for real-time simulations of cavity-bound emission and interference
The Journal of Chemical Physics 151 (24), 244113 (2019)
Light–Matter Response in Nonrelativistic Quantum Electrodynamics
ACS Photonics 6 (11), 2757–2778 (2019)
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)
Self-Consistent Density-Functional Embedding: A Novel Approach for Density-Functional Approximations
Journal of Chemical Theory and Computation 15 (10), 5209–5220 (2019)
Optimal control theory for quantum electrodynamics: an initial state problem
A. Castro, H. Appel, A. Rubio
European Physical Journal B 92 (10), 223 (2019)
Capturing vacuum fluctuations and photon correlations in cavity quantum electrodynamics with multitrajectory Ehrenfest dynamics
Physical Review A 99 (6), 063819 (2019)
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)
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)
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)
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)
From a quantum-electrodynamical light–matter description to novel spectroscopies
Nature Reviews Chemistry 2 (3), UNSP 0118 (2018)
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)
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)
Cavity Born-Oppenheimer Approximation for Correlated Electron-Nuclear-Photon Systems
Journal of Chemical Theory and Computation 13 (4), 1616–1625 (2017)
Systematic construction of density functionals based on matrix product state computations
New Journal of Physics 18 (8), 083039 (2016)
Exact maps in density functional theory for lattice models
New Journal of Physics 18 (8), 083004 (2016)
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