Publications of H. Appel

supplementary-material

Journal Article

Light-matter interactions within the Ehrenfest–Maxwell–Pauli–Kohn–Sham framework: fundamentals, implementation, and nano-optical applications

R. Jestädt, M. Ruggenthaler, M. J. T. Oliveira, A. Rubio, H. Appel

Advances in Physics 68 (4), 225–333 (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

supplementary-material

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

2016

Journal Article

Systematic construction of density functionals based on matrix product state computations

M. Lubasch, J. I. Fuks, H. Appel, A. Rubio, J. I. Cirac, M.-C. Bañuls

New Journal of Physics 18 (8), 083039 (2016)

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Journal Article

Exact maps in density functional theory for lattice models

T. Dimitrov, H. Appel, J. I. Fuks, A. Rubio

New Journal of Physics 18 (8), 083004 (2016)

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2015

Journal Article

Many-body Green’s function theory for electron-phonon interactions: The Kadanoff-Baym approach to spectral properties of the Holstein dimer

N. Säkkinen, Y. Peng, H. Appel, R. van Leeuwen

The Journal of Chemical Physics 143 (23), 234102 (2015)

MPG.PuRe

Journal Article

Kohn–Sham approach to quantum electrodynamical density-functional theory: Exact time-dependent effective potentials in real space

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

Proceedings of the National Academy of Sciences of the United States of America 112 (50), 15285–15290 (2015)

MPG.PuRe

Journal Article

Optimized Effective Potential for Quantum Electrodynamical Time-Dependent Density Functional Theory

C. Pellegrini, J. Flick, I. V. Tokatly, H. Appel, A. Rubio

Physical Review Letters 115 (9), 093001 (2015)

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Poster (1)

2015

Poster

Krieger-Li-Iafrate approximation to the optimized effective potential approach in density functional theory for quantum electrodynamics

C. Schäfer, J. Flick, H. Appel, C. Pellegrini, A. Rubio

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Other (1)

2021

Other

Multi-physics simulations with Octopus

H. Appel, A. Rubio

High Performance Computing and Data Science in the Max Planck Society (2021)

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Preprint (2)

2025

Preprint

High Harmonic Generation with Orbital Angular Momentum Beams: Beyond-dipole Corrections

E. I. Albar, V. Kosheleva, H. Appel, A. Rubio, F. Bonafé

(2025)

MPG.PuRe

2024

Preprint

Relativistic Linear Response in Quantum-Electrodynamical Density Functional Theory

L. Konecny, V. Kosheleva, H. Appel, M. Ruggenthaler, A. Rubio

(2024)

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