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State preparation for quantum algorithms is crucial for achieving highaccuracy in quantum chemistry and competing with classical algorithms. Thelocalized active space unitary coupled cluster (LAS-UCC) algorithm iterativelyloads a fragment-based multireference wave function onto a quantum computer. Inthis study, we compare two state preparation methods, quantum phase estimation(QPE) and direct initialization (DI), for each fragment. We analyze the impactof QPE parameters, such as the number of ancilla qubits and Trotter steps, onthe prepared state. We find a trade-off between the methods, where DI requiresfewer resources for smaller fragments, while QPE is more efficient for largerfragments. Our resource estimates highlight the benefits of systemfragmentation in state preparation for subsequent quantum chemicalcalculations. These findings have broad applications for preparingmultireference quantum chemical wave functions on quantum circuits,particularly via QPE circuits.

State preparation in quantum algorithms for fragment-based quantum chemistry