MPSD-Publikationen

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Zeitschriftenartikel (29)

2020
Zeitschriftenartikel
Virial Relations for Electrons Coupled to Quantum Field Modes
Journal of Chemical Theory and Computation 16 (10), 6236–6243 (2020)
Zeitschriftenartikel
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
Light–Matter Hybrid-Orbital-Based First-Principles Methods: The Influence of Polariton Statistics
Journal of Chemical Theory and Computation 16 (9), 5601–5620 (2020)
Zeitschriftenartikel
Relevance of the Quadratic Diamagnetic and Self-Polarization Terms in Cavity Quantum Electrodynamics
ACS Photonics 7 (4), 975–990 (2020)
Zeitschriftenartikel
Engineering quantum materials with chiral optical cavities
Nature Materials (2020)
Zeitschriftenartikel
Quantitative sampling of atomic-scale electromagnetic waveforms
D. Peller, C. Roelcke, L. Z. Kastner, T. Buchner, A. Neef, J. Hayes, F. Bonafé, D. Sidler, M. Ruggenthaler, A. Rubio, R. Huber, J. Repp
Nature Photonics xx (xx), xx-xx (2020)
2019
Zeitschriftenartikel
Reduced Density-Matrix Approach to Strong Matter-Photon Interaction
ACS Photonics 6 (11), 2694–2711 (2019)
Zeitschriftenartikel
Light–Matter Response in Nonrelativistic Quantum Electrodynamics
ACS Photonics 6 (11), 2757–2778 (2019)
Zeitschriftenartikel
Force balance approach for advanced approximations in density functional theories
The Journal of Chemical Physics 151 (15), 154107 (2019)
Zeitschriftenartikel
Quantum Electrodynamical Bloch Theory with Homogeneous Magnetic Fields
Physical Review Letters 123 (4), 047202 (2019)
Zeitschriftenartikel
Guaranteed Convergence of a Regularized Kohn-Sham Iteration in Finite Dimensions
M. Penz, A. Laestadius, E. I. Tellgren, M. Ruggenthaler
Physical Review Letters 123 (3), 037401 (2019)
Zeitschriftenartikel
Kohn–Sham Theory with Paramagnetic Currents: Compatibility and Functional Differentiability
A. Laestadius, E. I. Tellgren, M. Penz, M. Ruggenthaler, S. Kvaal, T. Helgaker
Journal of Chemical Theory and Computation 15 (7), 4003–4020 (2019)
Zeitschriftenartikel
One-body reduced density-matrix functional theory in finite basis sets at elevated temperatures
K. J. H. Giesbertz, M. Ruggenthaler
Physics Reports: Review Section of Physics Letters 806, 1–47 (2019)
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)
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 (2019)
2018
Zeitschriftenartikel
Cavity quantum-electrodynamical polaritonically enhanced electron-phonon coupling and its influence on superconductivity
Science Advances 4 (11), eaau6969 (2018)
Zeitschriftenartikel
Generalized Kohn–Sham iteration on Banach spaces
A. Laestadius, M. Penz, E. I. Tellgren, M. Ruggenthaler, S. Kvaal, T. Helgaker
The Journal of Chemical Physics 149 (16), 164103 (2018)
Zeitschriftenartikel
Numerical construction of the density-potential mapping
European Physical Journal B 91 (10), 235 (2018)
Zeitschriftenartikel
Ab initio nonrelativistic quantum electrodynamics: Bridging quantum chemistry and quantum optics from weak to strong coupling
Physical Review A 98, 043801 (2018)
Zeitschriftenartikel
Kinetic-Energy Density-Functional Theory on a Lattice
Journal of Chemical Theory and Computation 14 (8), 4072–4087 (2018)
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