Initial-State Preparation for Strongly Correlated Molecules from Matrix Product States: Benchmarking and Environment-Aware Divide-and-Conquer Compilation

arXiv:2610.33834v1 Announce Type: new Abstract: Compiling classically optimized matrix product states (MPSs) into quantum circuits is a promising route to initial-state preparation for strongly correlated molecules, but the accuracy, gate cost, and classical scalability of existing MPS compilation methods have not been systematically assessed. Here, we benchmark representative analytical, variational, and hybrid MPS compilation methods for strongly correlated systems including hydrogen chains and iron-sulfur clusters. We compare state infidelity, CNOT gate count, classical runtime, and parallel scalability across different system sizes and bond dimensions.