Requirements for building effective Hamiltonians using quantum-enhanced density matrix downfolding

Abstract

Density matrix downfolding (DMD) is a technique for regressing low-energy effective Hamiltonians from quantum many-body Hamiltonians. One limiting factor in the accuracy of classical implementations of DMD is the presence of difficult-to-quantify systematic errors attendant to sampling the observables of quantum many-body systems on an approximate low-energy subspace. We propose a hybrid quantum-classical protocol for circumventing this limitation, relying on the prospective ability of quantum computers to efficiently prepare and sample from states in well-defined low-energy subspaces with systematically improvable accuracy. We introduce three requirements for when this is possible, including a notion of compressibility that quantifies features of Hamiltonians and low-energy subspaces thereof for which quantum DMD might be efficient. Assuming that these requirements are met, we analyze design choices for our protocol and provide resource estimates for implementing quantum-enhanced DMD on both the doped 2-D Fermi-Hubbard model and an ab initio model of a cuprate superconductor.