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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
We introduce a simple scheme to efficiently compute photon exchange-correlation contributions due to the coupling to transversal photons as formulated in the newly developed quantu…
One-body reduced density-matrix functional theory in finite basis sets at elevated temperatures
Klaas J. H. Giesbertz, Michael Ruggenthaler
In this review we provide a rigorous and self-contained presentation of one-body reduced density-matrix (1RDM) functional theory. We do so for the case of a finite basis set, where…
Exact functionals for correlated electron-photon systems
Tanja Dimitrov, Johannes Flick, Michael Ruggenthaler +1
For certain correlated electron-photon systems we construct the exact density-to-potential maps, which are the basic ingredients of a density-functional reformulation of coupled ma…