4 papers · 1 filter
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…
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…