2 citations · 4 across the 10 of their papers we have counts for
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Non-equilibrium cavity pumping of electronic molecular polaritons
Yassir El Moutaoukal, Rosario R. Riso, Henrik Koch
Strong light-matter coupling in optical cavities offers a non-invasive route to modify molecular properties, and it is usually reached by collectively coupling many molecules to th…
eT 2.0: An efficient open-source molecular electronic structure program
Sarai Dery Folkestad, Eirik F. Kjønstad, Alexander C. Paul +34
The eT program is an open-source electronic structure program with emphasis on performance and modularity. As its name suggests, the program features extensive coupled cluster capa…
Unveiling chiral electron-photon correlation effects in circularly polarized optical devices
Yassir El Moutaoukal, Rosario R. Riso, Andrea Bianchi +1
Strong coupling with circularly polarized vacuum fluctuations offers a viable route to manipulate molecular chirality. While experiments are advancing toward the realization of chi…
A Complete Active Space Self-Consistent Field approach for molecules in QED environments
Riccardo Alessandro, Matteo Castagnola, Henrik Koch +1
Multireference systems are usually challenging to investigate using ab initio methods as they require an accurate description of static electron correlation. The urgency of develop…
Strong coupling quantum electrodynamics Hartree-Fock response theory
Matteo Castagnola, Rosario R. Riso, Yassir El Moutaoukal +2
The development of reliable ab initio methods for light-matter strong coupling is necessary for a deeper understanding of molecular polaritons. The recently developed strong coupli…
Strong coupling Møller-Plesset perturbation theory
Yassir El Moutaoukal, Rosario R. Riso, Matteo Castagnola +2
Perturbative approaches are methods to efficiently tackle many-body problems, offering both intuitive insights and analysis of correlation effects. However, their application to sy…
Realistic ab initio predictions of excimer behavior under collective light-matter strong coupling
Matteo Castagnola, Marcus T. Lexander, Henrik Koch
Experiments show that light-matter strong coupling affects chemical properties, though the underlying mechanism remains unclear. We present an ab initio quantum electrodynamics cou…
Chiral polaritonics: cavity-mediated enantioselective excitation condensation
Rosario R. Riso, Matteo Castagnola, Enrico Ronca +1
Separation of the two mirror images of a chiral molecule, the enantiomers, is a historically complicated problem of major relevance for biological systems. Since chiral molecules a…
Towards polaritonic molecular orbitals for large molecular systems
Yassir El Moutaoukal, Rosario R. Riso, Matteo Castagnola +1
A comprehensive theoretical understanding of electron-photon correlation is essential for describing the reshaping of molecular orbitals in quantum electrodynamics (QED) environmen…
Strong coupling electron-photon dynamics: a real-time investigation of energy redistribution in molecular polaritons
Matteo Castagnola, Marcus T. Lexander, Enrico Ronca +1
We analyze the real-time electron-photon dynamics in long-range polariton-mediated energy transfer using a real-time quantum electrodynamics coupled cluster (RT-QED-CC) model, whic…
Theory of magnetic properties in QED environments: application to molecular aromaticity
Alberto Barlini, Andrea Bianchi, Enrico Ronca +1
In this work, we present ab initio cavity QED methods which include interactions with a static magnetic field and nuclear spin degrees of freedom using different treatments of the…