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arXiv:2405.12289

Out-of-time-order correlators in electronic structure using Quantum Computers

K. J. Joven, V. M. Bastidas

Published May 20, 2024• 1 citation
arXivHTMLPDF

Abstract

Operator spreading has profound implications in diverse fields ranging from statistical mechanics and blackhole physics to quantum information. The usual way to quantify it is through out-of-time-order correlators (OTOCs), which are the quantum analog to Lyapunov exponents in classical chaotic dynamics. In this work we explore the phenomenon of operator spreading in quantum simulation of electronic structure in quantum computers. To substantiate our results, we focus on a hydrogen chain $H_4$ and demonstrate that operator spreading is enhanced when the chain is far from its equilibrium geometry. We also investigate the dynamics of bipartite entanglement and its dependence on the partition's size. Our findings reveal distinctive signatures closely resembling area- and volume-laws in equilibrium and far-from-equilibrium geometries, respectively. Our results provide insight of operator spreading of coherent errors in quantum simulation of electronic structure and can be experimentally implemented in various platforms available today.

DOI
10.48550/arxiv.2405.12289

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Operator spreading has profound implications in diverse fields ranging from statistical mechanics and blackhole physics to quantum information. The usual way to quantify it is through out-of-time-order correlators (OTOCs), which are the quantum analog to Lyapunov exponents in classical chaotic dynamics. In this work we explore the phenomenon of operator spreading in quantum simulation of electronic structure in quantum computers. To substantiate our results, we focus on a hydrogen chain H4H_4H4​ and demonstrate that operator spreading is enhanced when the chain is far from its equilibrium geometry. We also investigate the dynamics of bipartite entanglement and its dependence on the partition's size. Our findings reveal distinctive signatures closely resembling area- and volume-laws in equilibrium and far-from-equilibrium geometries, respectively. Our results provide insight of operator spreading of coherent errors in quantum simulation of electronic structure and can be experimentally implemented in various platforms available today.
There is great interest in using near-term quantum computers to simulate and study foundational problems in quantum mechanics and quantum information science, such as the scrambling measured by an out-of-time-ordered correlator (OTOC). Here we use an IBM Q processor, quantum error mitigation, and weaved Trotter simulation to study high-resolution operator spreading in a four-spin Ising model as a function of space, time, and integrability. Reaching four spins while retaining high circuit fidelity is made possible by the use of a physically motivated fixed-node variant of the OTOC, allowing scrambling to be estimated without overhead. We find clear signatures of a ballistic operator spreading in a chaotic regime, as well as operator localization in an integrable regime. The techniques developed and demonstrated here open up the possibility of using cloud-based quantum computers to study and visualize scrambling phenomena, as well as quantum information dynamics more generally.
Random quantum circuits yield minimally structured models for chaotic quantum dynamics, which are able to capture, for example, universal properties of entanglement growth.We provide exact results and coarse-grained models for the spreading of operators by quantum circuits made of Haar-random unitaries.We study both 1 þ 1D and higher dimensions and argue that the coarse-grained pictures carry over to operator spreading in generic many-body systems.In 1 þ 1D, we demonstrate that the out-of-time-order correlator (OTOC) satisfies a biased diffusion equation, which gives exact results for the spatial profile of the OTOC and determines the butterfly speed v B .We find that in 1 þ 1D, the "front" of the OTOC broadens diffusively, with a width scaling in time as t 1=2 .We address fluctuations in the OTOC between different realizations of the random circuit, arguing that they are negligible in comparison to the broadening of the front within a realization.Turning to higher dimensions, we show that the averaged OTOC can be understood exactly via a remarkable correspondence with a purely classical droplet growth problem.This implies that the width of the front of the averaged OTOC scales as t 1=3 in 2 þ 1D and as t 0.240 in 3 þ 1D (exponents of the Kardar-Parisi-Zhang universality class).We support our analytic argument with simulations in 2 þ 1D.We point out that, in two or higher spatial dimensions, the shape of the spreading operator at late times is affected by underlying lattice symmetries and, in general, is not spherical.However, when full spatial rotational symmetry is present in 2 þ 1D, our mapping implies an exact asymptotic form for the OTOC, in terms of the Tracy-Widom distribution.For an alternative perspective on the OTOC in 1 þ 1D, we map it to the partition function of an Ising-like statistical mechanics model.As a result of special structure arising from unitarity, this partition function reduces to a random walk calculation which can be performed exactly.We also use this mapping to give exact results for entanglement growth in 1 þ 1D circuits.
Out-of-time-ordered correlators (OTOC) have been proposed to characterize quantum chaos in generic systems. However, they can also show interesting behavior in integrable models, resembling the OTOC in chaotic systems in some aspects. Here we study the OTOC for different operators in the exactly-solvable one-dimensional quantum Ising spin chain. The OTOC for spin operators that are local in terms of the Jordan-Wigner fermions has a ``shell-like'' structure: After the wavefront passes, the OTOC approaches its original value in the long-time limit, showing no signature of scrambling; the approach is described by a ${t}^{\ensuremath{-}1}$ power law at long time ttt. On the other hand, the OTOC for spin operators that are nonlocal in the Jordan-Wigner fermions has a ``ball-like'' structure, with its value reaching zero in the long-time limit, looking like a signature of scrambling; the approach to zero, however, is described by a slow power law ${t}^{\ensuremath{-}1/4}$ for the Ising model at the critical coupling. These long-time power-law behaviors in the lattice model are not captured by conformal field theory calculations. The mixed OTOC with both local and nonlocal operators in the Jordan-Wigner fermions also has a ``ball-like'' structure, but the limiting values and the decay behavior appear to be nonuniversal. In all cases, we are not able to define a parametrically large window around the wavefront to extract the Lyapunov exponent.
This tutorial article introduces the physics of quantum information scrambling in quantum many-body systems. The goals are to understand how to precisely quantify the spreading of quantum information and how causality emerges in complex quantum systems. We introduce a general framework to study the dynamics of quantum information, including detection and decoding. We show that the dynamics of quantum information is closely related to operator dynamics in the Heisenberg picture, and, under certain circumstances, can be precisely quantified by the so-called out-of-time-ordered correlator (OTOC). The general behavior of the OTOC is discussed based on several toy models, including the Sachdev-Ye-Kitaev model, random circuit models, and Brownian models, in which the OTOC is analytically tractable. We introduce numerical methods, including exact diagonalization and tensor network methods, to calculate the OTOC for generic quantum many-body systems. We also survey current experimental schemes for measuring the OTOC in various quantum simulators. Published by the American Physical Society 2024
Out-of-time-ordered correlators (OTOCs) provide a powerful probe of quantum chaos and scrambling. While the Lindblad formalism is often used to describe OTOCs in open systems, microscopic mechanisms that give rise to the Lindblad equation at the level of time-ordered correlation functions do not necessarily justify this approach at the level of OTOCs. Starting from a microscopic model of a subsystem coupled to a random bath, we show that the resulting OTOC dynamics contains an additional contribution compared to the standard Lindblad approach. This contribution, induced by correlations between different replicas, allows key properties of the underlying unitary dynamics such as long-time freeness to be retained and information scrambling to be captured more faithfully. As an application, we show that this extended formalism can be used to numerically study OTOCs in large closed systems by replacing part of the system with a dissipative boundary, offering a way to study operator spreading and higher-order correlations beyond directly accessible system sizes.
Operator spreading under unitary time evolution has attracted a lot of attention recently as a way to probe many-body quantum chaos. While quantities such as out-of-time-ordered correlators (OTOCs) do distinguish interacting from noninteracting systems, it has remained unclear to what extent they can truly diagnose chaotic vs integrable dynamics in many-body quantum systems. Here, we analyze operator spreading in generic one-dimensional many-body quantum systems using a combination of matrix product operator (MPO) and analytical techniques, focusing on the operator right weight. First, we show that while small bond dimension MPOs allow one to capture the exponentially decaying tail of the operator front, in agreement with earlier results, they lead to significant quantitative and qualitative errors for the actual front---defined by the maximum of the right weight. We find that while the operator front broadens diffusively in both integrable and chaotic interacting spin chains, the precise shape and scaling of the height of the front in integrable systems is anomalous for all accessible times. We interpret these results using a quasiparticle picture. This provides a sharp, although rather subtle, signature of many-body quantum chaos in the operator front.