Publications of M. Ruggenthaler

Journal Article (38)

2019
Journal Article
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)
Journal Article
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)
Journal Article
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)
Journal Article
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
Journal Article
Cavity quantum-electrodynamical polaritonically enhanced electron-phonon coupling and its influence on superconductivity
Science Advances 4 (11), eaau6969 (2018)
Journal Article
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)
Journal Article
Numerical construction of the density-potential mapping
European Physical Journal B 91 (10), 235 (2018)
Journal Article
Ab initio nonrelativistic quantum electrodynamics: Bridging quantum chemistry and quantum optics from weak to strong coupling
Physical Review A 98, 043801 (2018)
Journal Article
Kinetic-Energy Density-Functional Theory on a Lattice
Journal of Chemical Theory and Computation 14 (8), 4072–4087 (2018)
Journal Article
From a quantum-electrodynamical light–matter description to novel spectroscopies
Nature Reviews Chemistry 2 (3), UNSP 0118 (2018)
Journal Article
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)
Journal Article
Light–matter interaction in the long-wavelength limit: no ground-state without dipole self-energy
Journal of Physics B: Atomic, Molecular and Optical Physics 51 (3), 034005 (2018)
2017
Journal Article
Exact functionals for correlated electron-photon systems
New Journal of Physics 19, 113036 (2017)
Journal Article
[Viewpoint:] Inducing Multiple Reactions with a Single Photon
Physics 10, 105 (2017)
Journal Article
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)
Journal Article
Cavity Born-Oppenheimer Approximation for Correlated Electron-Nuclear-Photon Systems
Journal of Chemical Theory and Computation 13 (4), 1616–1625 (2017)
2016
Journal Article
Time-dependent density functional theory beyond Kohn–Sham Slater determinants
J. I. Fuks, S. E. B. Nielsen, M. Ruggenthaler, N. T. Maitra
Physical Chemistry Chemical Physics 18 (31), 20976–20985 (2016)
2015
Journal Article
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), 15285–15290 (2015)

Working Paper (5)

2022
Working Paper
Exact Solution for A Real Polaritonic System Under Vibrational Strong Coupling in Thermodynamic Equilibrium: Absence of Zero Temperature and Loss of Light-Matter Entanglement
(2022)
Working Paper
Exchange energies with forces in density-functional theory
M. Ruggenthaler, N. Tancogne-Dejean, A. Laestadius, M. Penz, M. A. Csirik, A. Rubio
(2022)

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