Cluster-projected matrix product state: Framework for engineering exact quantum many-body ground states in one and two dimensions

Abstract

We propose a framework to design concurrently a frustration-free quantum many-body Hamiltonian and its numerically exact ground states on a sufficiently large finite-size cluster in one and two dimensions using an elementary matrix product state (MPS) representation. Our approach strategically chooses a local cluster Hamiltonian, which is arranged to overlap with neighboring clusters on a designed lattice. The frustration-free Hamiltonian is given as the sum of the cluster Hamiltonians by ensuring that there exists a state that has its local submanifolds as the lowest-energy eigenstate of every cluster. The key to find such a solution is a systematic protocol, which projects out excited states on every cluster using MPS and effectively entangles the cluster states. This algorithm not only offers an exact solution to general frustration-free Hamiltonian, but even provide the excited eigenstates by setting a proper target. It has several advantages, including the ability to achieve the calculation of states at nearly equal cost in one and two dimensions including those belonging to gapless or long-range entangled classes, flexibility in designing Hamiltonians unbiasedly across various forms of models, and numerically feasible validation of exactness through energy calculations. It enables the exploration of exact phase boundaries and the analysis of even a spatially nonuniform random system, providing platforms for quantum simulations and benchmarks. Published by the American Physical Society 2025