Dr. Heiko Appel (group leader) - Publications


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These papers are ordered by article relevance. This list contains only the publications related to the Nano-bio Spectroscopy Group and might not be the complete list of the author.

Light-matter interactions within the Ehrenfest–Maxwell–Pauli–Kohn–Sham framework: fundamentals, implementation, and nano-optical applications
René Jestädt, Michael Ruggenthaler, Micael J. T. Oliveira, Angel Rubio, Heiko Appel
Advances In Physics 68. issue 4, 225 - 333 (2020)
Octopus, a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite systems
Nicolas Tancogne-Dejean, Micael J. T. Oliveira, Xavier Andrade, Heiko Appel, Carlos H. Borca, Guillaume Le Breton, Florian Buchholz, Alberto Castro, Stefano Corni, Alfredo A. Correa, Umberto De Giovannini, Alain Delgado, Florian G. Eich, Johannes Flick, Gabriel Gil, Adrián Gomez, Nicole Helbig, Hannes Hübener, René Jestädt, Joaquim Jornet-Somoza, Ask H. Larsen, Irina V. Lebedeva, Martin Lüders, Miguel A. L. Marques, Sebastian T. Ohlmann, Silvio Pipolo, Markus Rampp, Carlo A. Rozzi, David A. Strubbe, Shunsuke A. Sato, Christian Schäfer, Iris Theophilou, Alicia Welden, Angel Rubio
Journal of Chemical Physics 152, 124119 (2020)
Polaritonic Coupled-Cluster Theory
Uliana Mordovina, Callum Bungey, Heiko Appel, Peter J. Knowles, Angel Rubio, Frederick R. Manby
Physical Review Research 2, 2, 023262 (2020)
Modification of excitation and charge transfer in cavity quantum-electrodynamical chemistry
Christian Schäfer, Michael Ruggenthaler, Heiko Appel, Angel Rubio
Proceedings Of The National Academy Of Sciences Of The United States Of America 116 (11), 4883 - 4892 (2019)
Density-Matrix Embedding Theory Study of the One-Dimensional Hubbard–Holstein Model
Teresa E. Reinhard,Uliana Mordovina,Claudius Hubig,Joshua S. Kretchmer,Ulrich Schollwöck,Heiko Appel,Michael A. Sentef, Angel Rubio
Journal Of Chemical Theory And Computation 15 (4), 2221 - 2232 (2019)
Capturing Vacuum Fluctuations and Photon Correlations in Cavity QED with Multi-Trajectory Ehrenfest Dynamics
Norah M. Hoffmann,Christian Scháfer,Angel Rubio,Aaron Kelly, Heiko Appel
Physical Review A 99, 063819 (2019)
Benchmarking Semiclassical and Perturbative Methods for Real-time Simulations of Cavity-Bound Emission and Interference
Norah M. Hoffmann, Christian Schäfer, Niko Säkkinen, Angel Rubio, Heiko Appel, Aaron Kelly
Journal of Chemical Physics 151, 244113 (2019)
Optimal control theory for quantum electrodynamics: an initial state problem
Alberto Castro,Heiko Appel, Angel Rubio
European Physical Journal B 92:223 (2019)
Light–Matter Response in Nonrelativistic Quantum Electrodynamics
Johannes Flick,Davis M. Welakuh,Michael Ruggenthaler,Heiko Appel, Angel Rubio
ACS Photonics 6,11, 2757 - 2778 (2019)
Light-Matter Response Functions in Quantum-Electrodynamical Density-Functional Theory: Modi cations of Spectra and of the Maxwell Equations
Johannes Flick,Davis M. Welakuh,Michael Ruggenthaler,Heiko Appel, Angel Rubio
ACS Photonics (2019)
Predicting the conductance of strongly correlated molecules: the Kondo effect in PTM/Au junctions
Wilhelm H. Appelt, Andrea Droghetti, Liviu Chioncel, Milos M. Radonjic, Enrique Munoz, Stefan Kirchner, Dieter Vollhardt, Ivan Rungger
Nanoscale 10, 17738 (2018)
Light-Matter Interactions via the Exact Factorization Approach
Norah M. Hoffmann,Heiko Appel,Angel Rubio, Neepa T. Maitra
European Physical Journal B 91: 180 (2018)
Ab-initio Optimized Effective Potentials for Real Molecules in Optical Cavities: Photon Contributions to the Molecular Ground state
Johannes Flick,Christian Schäfer,Michael Ruggenthaler,Heiko Appel, Angel Rubio
ACS Photonics 5, 992 - 1005 (2018)
From a quantum-electrodynamical light–matter description to novel spectroscopies
Michael Ruggenthaler,Nicolas Tancogne-Dejean,Johannes Flick,Heiko Appel, Angel Rubio
Nature Reviews Chemistry 2, 0118 (2018)
Atoms and Molecules in Cavities: From Weak to Strong Coupling in QED Chemistry
Johannes Flick,Michael Ruggenthaler,Heiko Appel, Angel Rubio
Proceedings Of The National Academy Of Sciences Of The United States Of America 114, 3026 - 3034 (2017)