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Multireference linearized coupled cluster theory for strongly correlated systems using matrix product states

Multireference linearized coupled cluster theory for strongly correlated systems using matrix product states

We propose a multireference linearized coupled cluster theory using matrix product states (MPS-LCC) which provides remarkably accurate ground-state energies, at a computational cost that has the same scaling as multireference configuration interaction singles and doubles (MRCISD), for a wide variety of electronic Hamiltonians. These range from first-row dimers at equilibrium …