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arXiv:2212.03014 · Physical Review X

Lower Bounds on Ground-State Energies of Local Hamiltonians through the Renormalization Group

Ilya Kull, Norbert Schuch, Benjamin Dive, Miguel Navascués

Published Apr 9, 2024• 24 citations
arXivHTMLPDF

Abstract

Given a renormalization scheme, we show how to formulate a tractable convex relaxation of the set of feasible local density matrices of a many-body quantum system. The relaxation is obtained by introducing a hierarchy of constraints between the reduced states of ever-growing sets of lattice sites. The coarse-graining maps of the underlying renormalization procedure serve to eliminate a vast number of those constraints, such that the remaining ones can be enforced with reasonable computational means. This process can be used to obtain rigorous lower bounds on the ground-state energy of arbitrary local Hamiltonians by performing a linear optimization over the resulting convex relaxation of reduced quantum states. The quality of the bounds crucially depends on the particular renormalization scheme, which must be tailored to the target Hamiltonian. We apply our method to 1D translation-invariant spin models, obtaining energy bounds comparable to those attained by optimizing over locally translation-invariant states of n≳100 spins. Beyond this demonstration, the general method can be applied to a wide range of other problems, such as spin systems in higher spatial dimensions, electronic structure problems, and various other many-body optimization problems, such as entanglement and nonlocality detection. Published by the American Physical Society 2024

DOI
10.1103/physrevx.14.021008

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Given a renormalization scheme, we show how to formulate a tractable convex relaxation of the set of feasible local density matrices of a many-body quantum system. The relaxation is obtained by introducing a hierarchy of constraints between the reduced states of ever-growing sets of lattice sites. The coarse-graining maps of the underlying renormalization procedure serve to eliminate a vast number of those constraints, such that the remaining ones can be enforced with reasonable computational means. This process can be used to obtain rigorous lower bounds on the ground-state energy of arbitrary local Hamiltonians by performing a linear optimization over the resulting convex relaxation of reduced quantum states. The quality of the bounds crucially depends on the particular renormalization scheme, which must be tailored to the target Hamiltonian. We apply our method to 1D translation-invariant spin models, obtaining energy bounds comparable to those attained by optimizing over locally translation-invariant states of n≳100 spins. Beyond this demonstration, the general method can be applied to a wide range of other problems, such as spin systems in higher spatial dimensions, electronic structure problems, and various other many-body optimization problems, such as entanglement and nonlocality detection. Published by the American Physical Society 2024
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A ubiquitous problem in quantum physics is to understand the ground-state properties of many-body systems. Confronted with the fact that exact diagonalization quickly becomes impossible when increasing the system size, variational approaches are typically employed as a scalable alternative: Energy is minimized over a subset of all possible states and then different physical quantities are computed over the solution state. Despite remarkable success, rigorously speaking, all that variational methods offer are upper bounds on the ground-state energy. On the other hand, so-called relaxations of the ground-state problem based on semidefinite programming represent a complementary approach, providing lower bounds to the ground-state energy. However, in their current implementation, neither variational nor relaxation methods offer provable bound on other observables in the ground state beyond the energy. In this work, we show that the combination of the two classes of approaches can be used to derive certifiable bounds on the value of any observable in the ground state, such as correlation functions of arbitrary order, structure factors, or order parameters. We illustrate the power of this approach in paradigmatic examples of 1D and 2D spin- 1 / 2 Heisenberg models. To improve the scalability of the method, we exploit the symmetries and sparsity of the considered systems to reach sizes of hundreds of particles at much higher precision than previous works. Our analysis therefore shows how to obtain certifiable bounds on many-body ground-state properties beyond energy in a scalable way. Published by the American Physical Society 2024
A variational upper bound on the ground state energy E gs of a quantum system, E gs ⩽ 〈Ψ| H |Ψ〉, is well-known (here H is the Hamiltonian of the system and Ψ is an arbitrary wave function). Much less known are variational lower bounds on the ground state. We consider one such bound which is valid for a many-body translation-invariant lattice system. Such a lattice can be divided into clusters which are identical up to translations. The Hamiltonian of such a system can be written as , where a term H i is supported on the i 'th cluster. The bound reads , where is some wisely chosen set of reduced density matrices of a single cluster. The implementation of this latter variational principle can be hampered by the difficulty of parameterizing the set , which is a necessary prerequisite for a variational procedure. The root cause of this difficulty is the nonlinear positivity constraint ρ > 0 which is to be satisfied by a density matrix. The squaring parametrization of the density matrix, ρ = τ 2 /tr τ 2 , where τ is an arbitrary (not necessarily positive) Hermitian operator, accounts for positivity automatically. We discuss how the squaring parametrization can be utilized to find variational lower bounds on ground states of translation-invariant many-body systems. As an example, we consider a one-dimensional Heisenberg antiferromagnet.
Variational methods play an important role in the study of quantum many-body problems, both in the flavor of classical variational principles based on tensor networks as well as of quantum variational principles in near-term quantum computing. This work stresses that for translationally invariant lattice Hamiltonians with periodic boundary conditions, one can easily derive efficiently computable lower bounds to ground state energies that can and should be compared with variational principles providing upper bounds. As small technical results, it is shown that (i) the Anderson bound and a (ii) common hierarchy of semidefinite relaxations both provide approximations with performance guarantees that scale as a constant in the energy density for cubic lattices. (iii) Also, the Anderson bound is systematically improved as a hierarchy of semidefinite relaxations inspired by the quantum marginal problem.
A bstract We present a new computational framework combining coarse-graining techniques with bootstrap methods to study quantum many-body systems. The method efficiently computes rigorous upper and lower bounds on both zero- and finite-temperature expectation values of any local observables of infinite quantum spin chains. This is achieved by using tensor networks to coarse-grain bootstrap constraints, including positivity, translation invariance, equations of motion, and energy-entropy balance inequalities. Coarse-graining allows access to constraints from significantly larger subsystems than previously possible, yielding tighter bounds compared to those obtained without coarse-graining.
We study the use of von Neumann entropy constraints for obtaining lower bounds on the ground energy of quantum many-body systems. Known methods for obtaining certificates on the ground energy typically use consistency of local observables and are expressed as semidefinite programming relaxations. The local marginals defined by such a relaxation do not necessarily satisfy entropy inequalities that follow from the existence of a global state. Here, we propose to add such entropy constraints that lead to tighter convex relaxations for the ground energy problem. We give analytical and numerical results illustrating the advantages of such entropy constraints. We also show limitations of the entropy constraints we construct: they are implied by doubling the number of sites in the relaxation and as a result they can at best lead to a quadratic improvement in terms of the matrix sizes of the variables. We explain the relation to a method for approximating the free energy known as the Markov Entropy Decomposition method.