90 citations · 218 across the 17 of their papers we have counts for
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Unitary Coupled-Cluster theory for the treatment of molecules in strong magnetic fields
Laura Grazioli, Marios-Petros Kitsaras, Stella Stopkowicz
In Coupled-Cluster (CC) theory, unphysical complex energies may arise in the presence of strong magnetic fields, near conical intersections, or in systems exhibiting complex Abelia…
Polaritonic Coupled Cluster Theory for Unpolarized Cavities Exploiting Point Group Symmetry
Laurenz Monzel, Stella Stopkowicz
We introduce a generalization of the quantum electrodynamic coupled cluster (QED-CC)wave function ansatz, to describe the strongly coupled light-matter system in an unpolarized opt…
Equation-of-motion coupled-cluster variants in combination with perturbative triples corrections in strong magnetic fields
Marios-Petros Kitsaras, Florian Hampe, Lena Reimund +1
In this paper, we report on the implementation of the EOM spin-flip (SF), ionization-potential (IP) and electron-affinity (EA) coupled cluster singles doubles (CCSD) methods for at…