Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Log inSign up
Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Blog
Job Board
Q3AS

© 2026 Aqora Quantum S.A.S.

TermsPrivacyLegal Notice

arXiv:2009.12032 · Physical Review Research

Bounding the finite-size error of quantum many-body dynamics simulations

Zhiyuan Wang, Michael Foss-Feig, Kaden R. A. Hazzard

Published Aug 16, 2021• 7 citations
arXivHTMLPDF

Abstract

Finite-size errors (FSEs), the discrepancies between an observable in a finite system and in the thermodynamic limit, are ubiquitous in numerical simulations of quantum many-body systems.Although a rough estimate of these errors can be obtained from a sequence of finite-size results, a strict, quantitative bound on the magnitude of FSE is still missing.Here we derive rigorous upper bounds on the FSE of local observables in real-time quantum dynamics simulations initialized from a product state.In d-dimensional locally interacting systems with a finite local Hilbert space, our bound implies | Ŝ(t ) L -Ŝ(t ) ∞ | C(2vt/L) cL-μ , with v, C, c, μ constants independent of L and t, which we compute explicitly.For periodic boundary conditions (PBCs), the constant c is twice as large as that for open boundary conditions (OBCs), suggesting that PBCs have smaller FSEs than OBCs at early times.The bound can be generalized to a large class of correlated initial states as well.As a byproduct, we prove that the FSE of local observables in ground-state simulations decays exponentially with L under a suitable spectral gap condition.Our bounds are practically useful in determining the validity of finite-size results, as we demonstrate in simulations of the one-dimensional (1D) quantum Ising and Fermi-Hubbard models.

DOI
10.1103/physrevresearch.3.l032047

Related papers

Spatial Discretization Error for Quantum Chemistry Simulation

Di Fang, Jiaqi Zhang

Nonrelativistic quantum chemistry is based on the Schrödinger equation in continuous, unbounded space. Computational approaches on classical and quantum computers often truncate the spatial domain and introduce a finite-dimensional basis, reducing the continuum problem to a finite-dimensional one. There is therefore a fundamental question: to what extent does this approximation capture the original continuum problem? In this work, we develop a general Sobolev-Galerkin framework for estimating spatial discretization errors in quantum simulation with unbounded Hamiltonians. We apply this framework to many-body Coulomb systems and establish both periodization and Galerkin error estimates for wave-function dynamics and ground-state energies. For dynamics, the finite-basis projection error of the exact wave function does not capture the full basis-discretization error: an additional dynamical projection error enters our bound at a different rate, and we introduce an inner-product argument to control this contribution. Interestingly, the spatial convergence rates for wave-function dynamics and ground-state energies differ quantitatively. For ground-state energies, we establish a sharp $M^{-1}$ convergence rate at fixed cell size, where $M$ is the number of one-particle basis functions. We also show that a uniform $M^{-1}$ convergence rate is impossible for the corresponding real-time wave-function error with general $H^2$ initial data. The analysis relies on many-body Sobolev estimates with explicit polynomial dependence on system size. Combining these estimates with state-of-the-art quantum algorithms, we obtain, to our knowledge, the first rigorous end-to-end complexity bounds for quantum simulation of molecular and electronic dynamics with all spatial errors explicitly controlled. The number of basis functions is determined directly from the continuum problem, without regularization.

quant-pharXiv:2610.25260•Oct 20, 2026•0 citations

Local observable errors from truncating interaction tails in gapped quantum lattice systems

Kangle Li

We bound the error in ground-state expectations of local observables caused by truncating the spatial tails of a gapped quantum lattice Hamiltonian. We show that the error is controlled by the interaction strength discarded near each site, rather than by the extensive norm of the omitted Hamiltonian. If the gap remains open along a path that removes the interaction tail, the resulting bounds are uniform in system size and extend, under suitable assumptions, to thermodynamic-limit ground states. The convergence rate reflects the decay of the interaction tail: it is algebraic for power-law interactions, superpolynomial for superpolynomial interactions, and exponential at any strictly smaller rate for exponentially decaying interactions. For superpolynomial interactions, we also derive a direct infinite-volume estimate using automorphic equivalence. The results extend to isolated low-energy sectors and parity-even fermionic systems. For two-body interactions decaying as $r^{-p}$ in $d$ dimensions, we prove an error bound $O(R^{-(p-d)})$ for $p>2d$, where $R$ is the truncation range. We construct a gapped non-translation-invariant example that saturates this scaling, showing that the bound is optimal for the general class considered. Our results quantify when finite-range truncations faithfully reproduce the local physics of gapped long-range systems.

quant-pharXiv:2608.15576•Aug 18, 2026•0 citations

Size-driven quantum phase transitions

Johannes Bausch, Toby S. Cubitt, Angelo Lucia +2 more

Can the properties of the thermodynamic limit of a many-body quantum system be extrapolated by analyzing a sequence of finite-size cases? We present models for which such an approach gives completely misleading results: translationally invariant, local Hamiltonians on a square lattice with open boundary conditions and constant spectral gap, which have a classical product ground state for all system sizes smaller than a particular threshold size, but a ground state with topological degeneracy for all system sizes larger than this threshold. Starting from a minimal case with spins of dimension 6 and threshold lattice size [Formula: see text], we show that the latter grows faster than any computable function with increasing local spin dimension. The resulting effect may be viewed as a unique type of quantum phase transition that is driven by the size of the system rather than by an external field or coupling strength. We prove that the construction is thermally robust, showing that these effects are in principle accessible to experimental observation.

arXiv:1512.05687•Proceedings of the National Academy of Sciences•Dec 19, 2017•26 citations

Classical simulation of quantum many-body systems

Yichen Huang

Classical simulation of quantum many-body systems is in general a challenging problem for the simple reason that the dimension of the Hilbert space grows exponentially with the system size. In particular, merely encoding a generic quantum many-body state requires an exponential number of bits. However, condensed matter physicists are mostly interested in local Hamiltonians and especially their ground states, which are highly non-generic. Thus, we might hope that at least some physical systems allow efficient classical simulation.Starting with one-dimensional (1D) quantum systems (i.e., the simplest nontrivial case), the first basic question is: Which classes of states have efficient classical representations? It turns out that this question is quantitatively related to the amount of entanglement in the state, for states with ``little entanglement'' are well approximated by matrix product states (a data structure that can be manipulated efficiently on a classical computer). At a technical level, the mathematical notion for ``little entanglement'' is area law, which has been proved for unique ground states in 1D gapped systems. We establish an area law for constant-fold degenerate ground states in 1D gapped systems and thus explain the effectiveness of matrix-product-state methods in (e.g.) symmetry breaking phases. This result might not be intuitively trivial as degenerate ground states in gapped systems can be long-range correlated.Suppose an efficient classical representation exists. How can one find it efficiently? The density matrix renormalization group is the leading numerical method for computing ground states in 1D quantum systems. However, it is a heuristic algorithm and the possibility that it may fail in some cases cannot be completely ruled out. Recently, a provably efficient variant of the density matrix renormalization group has been developed for frustration-free 1D gapped systems. We generalize this algorithm to all (i.e., possibly frustrated) 1D gapped systems. Note that the ground-state energy of 1D gapless Hamiltonians is computationally intractable even in the presence of translational invariance.It is tempting to extend methods and tools in 1D to two and higher dimensions (2+D), e.g., matrix product states are generalized to tensor network states. Since an area law for entanglement (if formulated properly) implies efficient matrix product state representations in 1D, an interesting question is whether a similar implication holds in 2+D. Roughly speaking, we show that an area law for entanglement (in any reasonable formulation) does not always imply efficient tensor network representations of the ground states of 2+D local Hamiltonians even in the presence of translational invariance. It should be emphasized that this result does not contradict with the common sense that in practice quantum states with more entanglement usually require more space to be stored classically; rather, it demonstrates that the relationship between entanglement and efficient classical representations is still far from being well understood.Excited eigenstates participate in the dynamics of quantum systems and are particularly relevant to the phenomenon of many-body localization (absence of transport at finite temperature in strongly correlated systems). We study the entanglement of excited eigenstates in random spin chains and expect that its singularities coincide with dynamical quantum phase transitions. This expectation is confirmed in the disordered quantum Ising chain using both analytical and numerical methods.Finally, we study the problem of generating ground states (possibly with topological order) in 1D gapped systems using quantum circuits. This is an interesting problem both in theory and in practice. It not only characterizes the essential difference between the entanglement patterns that give rise to trivial and nontrivial topological order, but also quantifies the difficulty of preparing quantum states with a quantum computer (in experiments).

•Jan 1, 2015•19 citations

Exact and rigorous methods in quantum many body physics

Zhiyuan Wang

Quantum many body physics is an exciting research area, involving novel phases of matter with fundamentally new properties, but is also notoriously hard due to complexity of interacting quantum systems. Some popular approaches involve approximation techniques and numerical simulations, which are known to fail in several important cases. In contrast, rigorous mathematical tools, such as exact solutions and operator inequalities, have a narrower range of applicability, but provide guaranteed results and insights into the underlying physical mechanisms. This research aims to develop new techniques in this direction and use them to explore novel phases of matter. My first direction is to construct toy models where exact solutions are possible. Such models are important as they prove that certain physical phenomena are theoretically possible in nature, and often lead to the discovery of new phases. Such insights are provided by three exactly solvable models I have discovered: (1) a family of 1D quantum spin models hosting free parastatistical quasiparticles (an exotic type of identical particles beyond fermions, bosons, and anyons), proving for the first time that parastatistics is theoretically possible as an emergent phenomenon; (2) a 3D classical Ising model whose phases are characterized by topological features of certain loop observables, suggesting existence of previously unknown classical phases and phase transitions with topological order parameters; and (3) a family of models with exact p-wave superconducting ground states demonstrating the existence of Majorana quasiparticles and non-Abelian statistics in particle number-conserving systems. My second direction is to derive rigorous bounds and exact constraints on physical observables, which are applicable to large families of quantum many-body systems. I present three directions of progress: (1) a method that dramatically improves the upper bounds on the speed of information propagation in locally-interacting systems, which significantly extends the scope of these bounds and enables new applications; (2) bounds on finite-size errors in numerical simulations of lattice systems, including quench dynamics and gapped ground states; and (3) a locality bound on gapped ground states of power-law interacting systems, which leads to a generalization of the aforementioned error bounds to such systems. These error bounds have important theoretical implications such as proving the existence of the thermodynamic limit and stability of phases, and are practically useful in determining the validity of finite-size numerical simulations.

•Aug 1, 2022•0 citations

Universal Error Bound for Constrained Quantum Dynamics

Zongping Gong, Nobuyuki Yoshioka, Naoyuki Shibata +1 more

It is well known in quantum mechanics that a large energy gap between a Hilbert subspace of specific interest and the remainder of the spectrum can suppress transitions from the quantum states inside the subspace to those outside due to additional couplings that mix these states, and thus approximately lead to a constrained dynamics within the subspace. While this statement has widely been used to approximate quantum dynamics in various contexts, a general and quantitative justification stays lacking. Here we establish an observable-based error bound for such a constrained-dynamics approximation in generic gapped quantum systems. This universal bound is a linear function of time that only involves the energy gap and coupling strength, provided that the latter is much smaller than the former. We demonstrate that either the intercept or the slope in the bound is asymptotically saturable by simple models. We generalize the result to quantum many-body systems with local interactions, for which the coupling strength diverges in the thermodynamic limit while the error is found to grow no faster than a power law t^{d+1} in d dimensions. Our work establishes a universal and rigorous result concerning nonequilibrium quantum dynamics.

arXiv:2001.03419•Physical Review Letters•May 27, 2020•14 citations
Finite-size errors (FSEs), the discrepancies between an observable in a finite system and in the thermodynamic limit, are ubiquitous in numerical simulations of quantum many-body systems.Although a rough estimate of these errors can be obtained from a sequence of finite-size results, a strict, quantitative bound on the magnitude of FSE is still missing.Here we derive rigorous upper bounds on the FSE of local observables in real-time quantum dynamics simulations initialized from a product state.In d-dimensional locally interacting systems with a finite local Hilbert space, our bound implies | Ŝ(t ) L -Ŝ(t ) ∞ | C(2vt/L) cL-μ , with v, C, c, μ constants independent of L and t, which we compute explicitly.For periodic boundary conditions (PBCs), the constant c is twice as large as that for open boundary conditions (OBCs), suggesting that PBCs have smaller FSEs than OBCs at early times.The bound can be generalized to a large class of correlated initial states as well.As a byproduct, we prove that the FSE of local observables in ground-state simulations decays exponentially with L under a suitable spectral gap condition.Our bounds are practically useful in determining the validity of finite-size results, as we demonstrate in simulations of the one-dimensional (1D) quantum Ising and Fermi-Hubbard models.
Nonrelativistic quantum chemistry is based on the Schrödinger equation in continuous, unbounded space. Computational approaches on classical and quantum computers often truncate the spatial domain and introduce a finite-dimensional basis, reducing the continuum problem to a finite-dimensional one. There is therefore a fundamental question: to what extent does this approximation capture the original continuum problem? In this work, we develop a general Sobolev-Galerkin framework for estimating spatial discretization errors in quantum simulation with unbounded Hamiltonians. We apply this framework to many-body Coulomb systems and establish both periodization and Galerkin error estimates for wave-function dynamics and ground-state energies. For dynamics, the finite-basis projection error of the exact wave function does not capture the full basis-discretization error: an additional dynamical projection error enters our bound at a different rate, and we introduce an inner-product argument to control this contribution. Interestingly, the spatial convergence rates for wave-function dynamics and ground-state energies differ quantitatively. For ground-state energies, we establish a sharp M−1M^{-1}M−1 convergence rate at fixed cell size, where MMM is the number of one-particle basis functions. We also show that a uniform M−1M^{-1}M−1 convergence rate is impossible for the corresponding real-time wave-function error with general H2H^2H2 initial data. The analysis relies on many-body Sobolev estimates with explicit polynomial dependence on system size. Combining these estimates with state-of-the-art quantum algorithms, we obtain, to our knowledge, the first rigorous end-to-end complexity bounds for quantum simulation of molecular and electronic dynamics with all spatial errors explicitly controlled. The number of basis functions is determined directly from the continuum problem, without regularization.
We bound the error in ground-state expectations of local observables caused by truncating the spatial tails of a gapped quantum lattice Hamiltonian. We show that the error is controlled by the interaction strength discarded near each site, rather than by the extensive norm of the omitted Hamiltonian. If the gap remains open along a path that removes the interaction tail, the resulting bounds are uniform in system size and extend, under suitable assumptions, to thermodynamic-limit ground states. The convergence rate reflects the decay of the interaction tail: it is algebraic for power-law interactions, superpolynomial for superpolynomial interactions, and exponential at any strictly smaller rate for exponentially decaying interactions. For superpolynomial interactions, we also derive a direct infinite-volume estimate using automorphic equivalence. The results extend to isolated low-energy sectors and parity-even fermionic systems. For two-body interactions decaying as r−pr^{-p}r−p in ddd dimensions, we prove an error bound O(R−(p−d))O(R^{-(p-d)})O(R−(p−d)) for p>2dp>2dp>2d, where RRR is the truncation range. We construct a gapped non-translation-invariant example that saturates this scaling, showing that the bound is optimal for the general class considered. Our results quantify when finite-range truncations faithfully reproduce the local physics of gapped long-range systems.
Can the properties of the thermodynamic limit of a many-body quantum system be extrapolated by analyzing a sequence of finite-size cases? We present models for which such an approach gives completely misleading results: translationally invariant, local Hamiltonians on a square lattice with open boundary conditions and constant spectral gap, which have a classical product ground state for all system sizes smaller than a particular threshold size, but a ground state with topological degeneracy for all system sizes larger than this threshold. Starting from a minimal case with spins of dimension 6 and threshold lattice size [Formula: see text], we show that the latter grows faster than any computable function with increasing local spin dimension. The resulting effect may be viewed as a unique type of quantum phase transition that is driven by the size of the system rather than by an external field or coupling strength. We prove that the construction is thermally robust, showing that these effects are in principle accessible to experimental observation.
Classical simulation of quantum many-body systems is in general a challenging problem for the simple reason that the dimension of the Hilbert space grows exponentially with the system size. In particular, merely encoding a generic quantum many-body state requires an exponential number of bits. However, condensed matter physicists are mostly interested in local Hamiltonians and especially their ground states, which are highly non-generic. Thus, we might hope that at least some physical systems allow efficient classical simulation.Starting with one-dimensional (1D) quantum systems (i.e., the simplest nontrivial case), the first basic question is: Which classes of states have efficient classical representations? It turns out that this question is quantitatively related to the amount of entanglement in the state, for states with ``little entanglement'' are well approximated by matrix product states (a data structure that can be manipulated efficiently on a classical computer). At a technical level, the mathematical notion for ``little entanglement'' is area law, which has been proved for unique ground states in 1D gapped systems. We establish an area law for constant-fold degenerate ground states in 1D gapped systems and thus explain the effectiveness of matrix-product-state methods in (e.g.) symmetry breaking phases. This result might not be intuitively trivial as degenerate ground states in gapped systems can be long-range correlated.Suppose an efficient classical representation exists. How can one find it efficiently? The density matrix renormalization group is the leading numerical method for computing ground states in 1D quantum systems. However, it is a heuristic algorithm and the possibility that it may fail in some cases cannot be completely ruled out. Recently, a provably efficient variant of the density matrix renormalization group has been developed for frustration-free 1D gapped systems. We generalize this algorithm to all (i.e., possibly frustrated) 1D gapped systems. Note that the ground-state energy of 1D gapless Hamiltonians is computationally intractable even in the presence of translational invariance.It is tempting to extend methods and tools in 1D to two and higher dimensions (2+D), e.g., matrix product states are generalized to tensor network states. Since an area law for entanglement (if formulated properly) implies efficient matrix product state representations in 1D, an interesting question is whether a similar implication holds in 2+D. Roughly speaking, we show that an area law for entanglement (in any reasonable formulation) does not always imply efficient tensor network representations of the ground states of 2+D local Hamiltonians even in the presence of translational invariance. It should be emphasized that this result does not contradict with the common sense that in practice quantum states with more entanglement usually require more space to be stored classically; rather, it demonstrates that the relationship between entanglement and efficient classical representations is still far from being well understood.Excited eigenstates participate in the dynamics of quantum systems and are particularly relevant to the phenomenon of many-body localization (absence of transport at finite temperature in strongly correlated systems). We study the entanglement of excited eigenstates in random spin chains and expect that its singularities coincide with dynamical quantum phase transitions. This expectation is confirmed in the disordered quantum Ising chain using both analytical and numerical methods.Finally, we study the problem of generating ground states (possibly with topological order) in 1D gapped systems using quantum circuits. This is an interesting problem both in theory and in practice. It not only characterizes the essential difference between the entanglement patterns that give rise to trivial and nontrivial topological order, but also quantifies the difficulty of preparing quantum states with a quantum computer (in experiments).
Quantum many body physics is an exciting research area, involving novel phases of matter with fundamentally new properties, but is also notoriously hard due to complexity of interacting quantum systems. Some popular approaches involve approximation techniques and numerical simulations, which are known to fail in several important cases. In contrast, rigorous mathematical tools, such as exact solutions and operator inequalities, have a narrower range of applicability, but provide guaranteed results and insights into the underlying physical mechanisms. This research aims to develop new techniques in this direction and use them to explore novel phases of matter. My first direction is to construct toy models where exact solutions are possible. Such models are important as they prove that certain physical phenomena are theoretically possible in nature, and often lead to the discovery of new phases. Such insights are provided by three exactly solvable models I have discovered: (1) a family of 1D quantum spin models hosting free parastatistical quasiparticles (an exotic type of identical particles beyond fermions, bosons, and anyons), proving for the first time that parastatistics is theoretically possible as an emergent phenomenon; (2) a 3D classical Ising model whose phases are characterized by topological features of certain loop observables, suggesting existence of previously unknown classical phases and phase transitions with topological order parameters; and (3) a family of models with exact p-wave superconducting ground states demonstrating the existence of Majorana quasiparticles and non-Abelian statistics in particle number-conserving systems. My second direction is to derive rigorous bounds and exact constraints on physical observables, which are applicable to large families of quantum many-body systems. I present three directions of progress: (1) a method that dramatically improves the upper bounds on the speed of information propagation in locally-interacting systems, which significantly extends the scope of these bounds and enables new applications; (2) bounds on finite-size errors in numerical simulations of lattice systems, including quench dynamics and gapped ground states; and (3) a locality bound on gapped ground states of power-law interacting systems, which leads to a generalization of the aforementioned error bounds to such systems. These error bounds have important theoretical implications such as proving the existence of the thermodynamic limit and stability of phases, and are practically useful in determining the validity of finite-size numerical simulations.
It is well known in quantum mechanics that a large energy gap between a Hilbert subspace of specific interest and the remainder of the spectrum can suppress transitions from the quantum states inside the subspace to those outside due to additional couplings that mix these states, and thus approximately lead to a constrained dynamics within the subspace. While this statement has widely been used to approximate quantum dynamics in various contexts, a general and quantitative justification stays lacking. Here we establish an observable-based error bound for such a constrained-dynamics approximation in generic gapped quantum systems. This universal bound is a linear function of time that only involves the energy gap and coupling strength, provided that the latter is much smaller than the former. We demonstrate that either the intercept or the slope in the bound is asymptotically saturable by simple models. We generalize the result to quantum many-body systems with local interactions, for which the coupling strength diverges in the thermodynamic limit while the error is found to grow no faster than a power law t^{d+1} in d dimensions. Our work establishes a universal and rigorous result concerning nonequilibrium quantum dynamics.