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physics.chem-ph2026
The RAS-CCSD model, with applications for open-shell molecules
Sarai Dery Folkestad
The restricted active space coupled cluster singles and doubles (RAS-CCSD) model, and its pilot implementation is detailed. The approach offers a simple, pragmatic way to formulate…
physics.chem-ph2026
Coupled cluster theory for multireference and open-shell molecules
Sarai Dery Folkestad, Henrik Koch
We introduce a simple coupled cluster approach for multireference and open-shell systems. In the restricted active space coupled cluster framework, the cluster operator only includ…