Finite-field UCC2 and UCC3 are implemented and shown to give real, accurate energies for molecules in strong magnetic fields, including cases where standard coupled-cluster gives complex energies.
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Unitary Coupled-Cluster theory for the treatment of molecules in strong magnetic fields
Finite-field UCC2 and UCC3 are implemented and shown to give real, accurate energies for molecules in strong magnetic fields, including cases where standard coupled-cluster gives complex energies.