146 citations · 300 across the 6 of their papers we have counts for
14 papers
Strong coupling between localized surface plasmons and molecules by coupled cluster theory
Jacopo Fregoni, Tor S. Haugland, Silvio Pipolo +3
Plasmonic nanocavities enable the confinement of molecules and electromagnetic fields within nano-metric volumes. As a consequence, the molecules experience a remarkably strong int…
Combining Multilevel Hartree Fock and Multilevel Coupled Cluster with Molecular Mechanics: a Study of Electronic Excitations in Solutions
Linda Goletto, Tommaso Giovannini, Sarai D. Folkestad +1
We investigate the coupling of different quantum-embedding approaches with a third molecular-mechanics layer, which can be either polarizable or non-polarizable. In particular, suc…
Intermolecular interactions in optical cavities: an ab initio QED study
Tor S. Haugland, Christian Schäfer, Enrico Ronca +2
Intermolecular bonds are weak compared to covalent bonds, but they are strong enough to influence the properties of large molecular systems. In this work, we investigate how strong…
A biorthonormal formalism for nonadiabatic coupled cluster dynamics
Eirik F. Kjønstad, Henrik Koch
In coupled cluster methods, the electronic states are biorthonormal in the sense that the left states are orthonormal to the right states. Here we present an extension of this form…
Equation-of-motion MLCCSD and CCSD-in-HF oscillator strengths and their application to core excitations
Sarai D. Folkestad, Henrik Koch
We present an implementation of equation-of-motion oscillator strengths for the multilevel CCSD (MLCCSD) model where CCS is used as the lower level method (CCS/CCSD). In this model…
A new and efficient implementation of CC3
Alexander C. Paul, Rolf H. Myhre, Henrik Koch
We present a new and efficient implementation of the closed shell coupled cluster singles and doubles with perturbative triples method (CC3) in the electronic structure program $e^…