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

Por Flick, Johannes, Ruggenthaler, Michael, Appel, Heiko, Rubio, Angel
Publicado no Proc Natl Acad Sci U S A (2015)

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

Por Flick, Johannes, Appel, Heiko, Ruggenthaler, Michael, Rubio, Angel
Publicado no J Chem Theory Comput (2017)

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

Por Flick, Johannes, Ruggenthaler, Michael, Appel, Heiko, Rubio, Angel
Publicado no Proc Natl Acad Sci U S A (2017)

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

Por Flick, Johannes, Schäfer, Christian, Ruggenthaler, Michael, Appel, Heiko, Rubio, Angel
Publicado no ACS Photonics (2018)

Kinetic-Energy Density-Functional Theory on a Lattice

Por Theophilou, Iris, Buchholz, Florian, Eich, F. G., Ruggenthaler, Michael, Rubio, Angel
Publicado no J Chem Theory Comput (2018)