No Arabic abstract
We study whether one can write a Matrix Product Density Operator (MPDO) as the Gibbs state of a quasi-local parent Hamiltonian. We conjecture this is the case for generic MPDO and give supporting evidences. To investigate the locality of the parent Hamiltonian, we take the approach of checking whether the quantum conditional mutual information decays exponentially. The MPDO we consider are constructed from a chain of 1-input/2-output (`Y-shaped) completely-positive maps, i.e. the MPDO have a local purification. We derive an upper bound on the conditional mutual information for bistochastic channels and strictly positive channels, and show that it decays exponentially if the correctable algebra of the channel is trivial. We also introduce a conjecture on a quantum data processing inequality that implies the exponential decay of the conditional mutual information for every Y-shaped channel with trivial correctable algebra. We additionally investigate a close but nonequivalent cousin: MPDO measured in a local basis. We provide sufficient conditions for the exponential decay of the conditional mutual information of the measured states, and numerically confirmed they are generically true for certain random MPDO.
Simulating quantum circuits with classical computers requires resources growing exponentially in terms of system size. Real quantum computer with noise, however, may be simulated polynomially with various methods considering different noise models. In this work, we simulate random quantum circuits in 1D with Matrix Product Density Operators (MPDO), for different noise models such as dephasing, depolarizing, and amplitude damping. We show that the method based on Matrix Product States (MPS) fails to approximate the noisy output quantum states for any of the noise models considered, while the MPDO method approximates them well. Compared with the method of Matrix Product Operators (MPO), the MPDO method reflects a clear physical picture of noise (with inner indices taking care of the noise simulation) and quantum entanglement (with bond indices taking care of two-qubit gate simulation). Consequently, in case of weak system noise, the resource cost of MPDO will be significantly less than that of the MPO due to a relatively small inner dimension needed for the simulation. In case of strong system noise, a relatively small bond dimension may be sufficient to simulate the noisy circuits, indicating a regime that the noise is large enough for an `easy classical simulation. Moreover, we propose a more effective tensor updates scheme with optimal truncations for both the inner and the bond dimensions, performed after each layer of the circuit, which enjoys a canonical form of the MPDO for improving simulation accuracy. With truncated inner dimension to a maximum value $kappa$ and bond dimension to a maximum value $chi$, the cost of our simulation scales as $sim NDkappa^3chi^3$, for an $N$-qubit circuit with depth $D$.
We consider the tensors generating matrix product states and density operators in a spin chain. For pure states, we revise the renormalization procedure introduced by F. Verstraete et al. in 2005 and characterize the tensors corresponding to the fixed points. We relate them to the states possessing zero correlation length, saturation of the area law, as well as to those which generate ground states of local and commuting Hamiltonians. For mixed states, we introduce the concept of renormalization fixed points and characterize the corresponding tensors. We also relate them to concepts like finite correlation length, saturation of the area law, as well as to those which generate Gibbs states of local and commuting Hamiltonians. One of the main result of this work is that the resulting fixed points can be associated to the boundary theories of two-dimensional topological states, through the bulk-boundary correspondence introduced by Cirac et al. in 2011.
Classical turning surfaces of Kohn-Sham potentials, separating classically-allowed regions (CARs) from classically-forbidden regions (CFRs), provide a useful and rigorous approach to understanding many chemical properties of molecules. Here we calculate such surfaces for several paradigmatic solids. Our study of perfect crystals at equilibrium geometries suggests that CFRs are absent in metals, rare in covalent semiconductors, but common in ionic and molecular crystals. A CFR can appear at a monovacancy in a metal. In all materials, CFRs appear or grow as the internuclear distances are uniformly expanded. Calculations with several approximate density functionals and codes confirm these behaviors. A classical picture of conduction suggests that CARs should be connected in metals, and disconnected in wide-gap insulators. This classical picture is confirmed in the limits of extreme uniform compression of the internuclear distances, where all materials become metals without CFRs, and extreme expansion, where all materials become insulators with disconnected and widely-separated CARs around the atoms.
Matrix Product States form the basis of powerful simulation methods for ground state problems in one dimension. Their power stems from the fact that they faithfully approximate states with a low amount of entanglement, the area law. In this work, we establish the mixed state analogue of this result: We show that one-dimensional mixed states with a low amount of entanglement, quantified by the entanglement of purification, can be efficiently approximated by Matrix Product Density Operators (MPDOs). In combination with results establishing area laws for thermal states, this helps to put the use of MPDOs in the simulation of thermal states on a formal footing.
A broad range of quantum optimisation problems can be phrased as the question whether a specific system has a ground state at zero energy, i.e. whether its Hamiltonian is frustration free. Frustration-free Hamiltonians, in turn, play a central role for constructing and understanding new phases of matter in quantum many-body physics. Unfortunately, determining whether this is the case is known to be a complexity-theoretically intractable problem. This makes it highly desirable to search for efficient heuristics and algorithms in order to, at least, partially answer this question. Here we prove a general criterion - a sufficient condition - under which a local Hamiltonian is guaranteed to be frustration free by lifting Shearers theorem from classical probability theory to the quantum world. Remarkably, evaluating this condition proceeds via a fully classical analysis of a hard-core lattice gas at negative fugacity on the Hamiltonians interaction graph which, as a statistical mechanics problem, is of interest in its own right. We concretely apply this criterion to local Hamiltonians on various regular lattices, while bringing to bear the tools of spin glass physics which permit us to obtain new bounds on the SAT/UNSAT transition in random quantum satisfiability. These also lead us to natural conjectures for when such bounds will be tight, as well as to a novel notion of universality for these computer science problems. Besides providing concrete algorithms leading to detailed and quantitative insights, this underscores the power of marrying classical statistical mechanics with quantum computation and complexity theory.