Publications of H. Appel

2022

Journal Article

Frequency-Dependent Sternheimer Linear-Response Formalism for Strongly Coupled Light–Matter Systems

D. Welakuh, J. Flick, M. Ruggenthaler, H. Appel, A. Rubio

Journal of Chemical Theory and Computation 18 (7), 4354–4365 (2022)

MPG.PuRe

2021

Journal Article

Photoionization and transient Wannier-Stark ladder in silicon: First-principles simulations versus Keldysh theory

T. J.-Y. Derrien, N. Tancogne-Dejean, V. P. Zhukov, H. Appel, A. Rubio, N. M. Bulgakova

Physical Review B 104 (24), L241201 (2021)

MPG.PuRe

Journal Article

Down-conversion processes in ab initio nonrelativistic quantum electrodynamics

D. Welakuh, M. Ruggenthaler, M.-L. Tchenkoue Djouom, H. Appel, A. Rubio

Physical Review Research 3 (3), 033067 (2021)

MPG.PuRe

2020

Journal Article

Chemistry in Quantum Cavities: Exact Results, the Impact of Thermal Velocities, and Modified Dissociation

D. Sidler, M. Ruggenthaler, H. Appel, A. Rubio

The Journal of Physical Chemistry Letters 11 (18), 7525–7530 (2020)

MPG.PuRe

Journal Article

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)

MPG.PuRe

Journal Article

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)

MPG.PuRe

ZIP

2019

Journal Article

Benchmarking semiclassical and perturbative methods for real-time simulations of cavity-bound emission and interference

N. Hoffmann, C. Schäfer, N. Säkkinen, A. Rubio, H. Appel, A. Kelly

The Journal of Chemical Physics 151 (24), 244113 (2019)

MPG.PuRe

Journal Article

Light–Matter Response in Nonrelativistic Quantum Electrodynamics

J. Flick, D. Welakuh, M. Ruggenthaler, H. Appel, A. Rubio

ACS Photonics 6 (11), 2757–2778 (2019)

MPG.PuRe

Journal Article

Self-Consistent Density-Functional Embedding: A Novel Approach for Density-Functional Approximations

U. Mordovina, T. Reinhard, I. Theophilou, H. Appel, A. Rubio

Journal of Chemical Theory and Computation 15 (10), 5209–5220 (2019)

MPG.PuRe

Journal Article

Optimal control theory for quantum electrodynamics: an initial state problem

A. Castro, H. Appel, A. Rubio

European Physical Journal B 92 (10), 223 (2019)

MPG.PuRe

post-print

Journal Article

Capturing vacuum fluctuations and photon correlations in cavity quantum electrodynamics with multitrajectory Ehrenfest dynamics

N. Hoffmann, C. Schäfer, A. Rubio, A. Kelly, H. Appel

Physical Review A 99 (6), 063819 (2019)

MPG.PuRe

Journal Article

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)

MPG.PuRe

Journal Article

Modification of excitation and charge transfer in cavity quantum-electrodynamical chemistry

C. Schäfer, M. Ruggenthaler, H. Appel, A. Rubio

Proceedings of the National Academy of Sciences of the United States of America 116 (11), 4883–4892 (2019)

MPG.PuRe

2018

Journal Article

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)

MPG.PuRe

Journal Article

From a quantum-electrodynamical light–matter description to novel spectroscopies

M. Ruggenthaler, N. Tancogne-Dejean, J. Flick, H. Appel, A. Rubio

Nature Reviews Chemistry 2 (3), UNSP 0118 (2018)

MPG.PuRe

Full

Journal Article

Ab Initio Optimized Effective Potentials for Real Molecules in Optical Cavities: Photon Contributions to the Molecular Ground State

J. Flick, C. Schäfer, M. Ruggenthaler, H. Appel, A. Rubio

ACS Photonics 5 (3), 992–1005 (2018)

MPG.PuRe

2017

Journal Article

Atoms and molecules in cavities, from weak to strong coupling in quantum-electrodynamics (QED) chemistry

J. Flick, M. Ruggenthaler, H. Appel, A. Rubio

Proceedings of the National Academy of Sciences of the United States of America 114 (12), 3026–3034 (2017)

MPG.PuRe

Journal Article

Cavity Born-Oppenheimer Approximation for Correlated Electron-Nuclear-Photon Systems

J. Flick, H. Appel, M. Ruggenthaler, A. Rubio

Journal of Chemical Theory and Computation 13 (4), 1616–1625 (2017)

MPG.PuRe

pre-print