Publications (21)
Systematic construction of density functionals based on matrix product state computations
Michael Lubasch, Johanna I. Fuks, Heiko Appel +3
Quantum Electrodynamical Density-Functional Theory: Bridging Quantum Optics and Electronic-Structure Theory
Michael Ruggenthaler, Johannes Flick, Camilla Pellegrini +3
Light-Matter Interactions via the Exact Factorization Approach
Norah M. Hoffmann, Heiko Appel, Angel Rubio +1
Cavity Born-Oppenheimer Approximation for Correlated Electron-Nuclear-Photon Systems
Johannes Flick, Heiko Appel, Michael Ruggenthaler +1
Non-adiabatic and time-resolved photoelectron spectroscopy for molecular systems
Johannes Flick, Heiko Appel, Angel Rubio
Exact Maps in Density Functional Theory for Lattice Models
Tanja Dimitrov, Heiko Appel, Johanna I. Fuks +1
Kohn-Sham Approach to Quantum Electrodynamical Density Functional Theory: Exact Time-Dependent Effective Potentials in Real Space
Johannes Flick, Michael Ruggenthaler, Heiko Appel +1
Ab-initio Optimized Effective Potentials for Real Molecules in Optical Cavities: Photon Contributions to the Molecular Ground state
Johannes Flick, Christian Schäfer, Michael Ruggenthaler +2
Optimized Effective Potential for Quantum Electrodynamical Time-Dependent Density Functional Theory
Camilla Pellegrini, Johannes Flick, Ilya V. Tokatly +2
Reduced purities as measures of decoherence in many-electron systems
Ignacio Franco, Heiko Appel
Atoms and Molecules in Cavities: From Weak to Strong Coupling in QED Chemistry
Johannes Flick, Michael Ruggenthaler, Heiko Appel +1
Self-Consistent Density-Functional Embedding: a Novel Approach for Density-Functional Approximations
Uliana Mordovina, Teresa E. Reinhard, Iris Theophilou +2
Measuring excitation-energy transfer with a real-time time-dependent density functional theory approach
Dirk Hofmann, Heiko Appel, Massimiliano Di Ventra +1
Correlated Electron-Nuclear Dynamics with Conditional Wave Functions
Guillermo Albareda, Heiko Appel, Ignacio Franco +2
Stochastic quantum molecular dynamics for finite and extended systems
Heiko Appel, Massimiliano Di Ventra
Density-matrix embedding theory study of the one-dimensional Hubbard-Holstein model
Teresa E. Reinhard, Uliana Mordovina, Claudius Hubig +5
Förster-induced energy transfer in functionalized graphene
Ermin Malic, Heiko Appel, Oliver T. Hofmann +1
The time-dependent exchange-correlation functional for a Hubbard dimer: quantifying non-adiabatic effect
Johanna I. Fuks, Mehdi Farzanehpour, Ilya V. Tokatly +3
Stochastic Quantum Molecular Dynamics
Heiko Appel, Massimiliano Di Ventra
Capturing Vacuum Fluctuations and Photon Correlations in Cavity Quantum Electrodynamics with Multi-Trajectory Ehrenfest Dynamics
Norah M. Hoffmann, Christian Schäfer, Angel Rubio +2
A quantum reactive scattering perspective on electronic nonadiabaticity
Yang Peng, Luca M. Ghiringhelli, Heiko Appel