30 citations · 34 across the 10 of their papers we have counts for
10 papers
Enriching molecular Raman spectroscopy with vibrational strong coupling
Matteo Castagnola, Anne Todsen Hansen, Morten Hanefeld Dziegiel +3
Raman spectroscopy is widely used for molecular identification in biological samples, but spectral congestion often obscures key molecular fingerprints. Strategies to enrich vibrat…
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…
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…
Collective Strong Coupling Modifies Aggregation and Solvation
Matteo Castagnola, Tor S. Haugland, Enrico Ronca +2
Intermolecular interactions are pivotal for aggregation, solvation, and crystallization. We demonstrate that the collective strong coupling of several molecules to a single optical…