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.
Stopkowicz ,\ title title Perspective: Coupled cluster theory for atoms and molecules in strong magnetic fields , \ 10.1002/qua.25391 journal journal Int
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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.