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arXiv:cond-mat/0611727 · Physical Review B

Quantum fidelity and quantum phase transitions in matrix product states

Marco Cozzini, Radu Ionicioiu, Paolo Zanardi A

Published Sep 19, 2007• 163 citations
arXivHTMLPDF

Abstract

Matrix product states, a key ingredient of numerical algorithms widely employed in the simulation of quantum spin chains, provide an intriguing tool for quantum phase transition engineering. At critical values of the control parameters on which their constituent matrices depend, singularities in the expectation values of certain observables can appear, in spite of the analyticity of the ground state energy. For this class of generalized quantum phase transitions, we test the validity of the recently introduced fidelity approach, where the overlap modulus of ground states corresponding to slightly different parameters is considered. We discuss several examples, successfully identifying all the present transitions. We also study the finite size scaling of fidelity derivatives, pointing out its relevance in extracting critical exponents.

DOI
10.1103/physrevb.76.104420

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Matrix product states, a key ingredient of numerical algorithms widely employed in the simulation of quantum spin chains, provide an intriguing tool for quantum phase transition engineering. At critical values of the control parameters on which their constituent matrices depend, singularities in the expectation values of certain observables can appear, in spite of the analyticity of the ground state energy. For this class of generalized quantum phase transitions, we test the validity of the recently introduced fidelity approach, where the overlap modulus of ground states corresponding to slightly different parameters is considered. We discuss several examples, successfully identifying all the present transitions. We also study the finite size scaling of fidelity derivatives, pointing out its relevance in extracting critical exponents.
We investigate quantum phase transitions (QPTs) in spin chain systems characterized by local Hamiltonians with matrix product ground states. We show how to theoretically engineer such QPT points between states with predetermined properties. While some of the characteristics of these transitions are familiar, like the appearance of singularities in the thermodynamic limit, diverging correlation length, and vanishing energy gap, others differ from the standard paradigm: In particular, the ground state energy remains analytic, and the entanglement entropy of a half-chain stays finite. Examples demonstrate that these kinds of transitions can occur at the triple point of "conventional" QPTs.
The deconfined quantum critical point was proposed as a second-order quantum phase transition between two broken-symmetry phases beyond the Landau-Ginzburg-Wilson paradigm. However, numerical studies cannot completely rule out a weakly-first-order transition because of strong violations of finite-size scaling. We demonstrate that the fidelity is a simple probe to study the deconfined quantum critical point. We study the ground-state fidelity susceptibility close to the deconfined quantum critical point in a spin chain using the large-scale finite-size density-matrix renormalization-group method. We find that the finite-size scaling of the fidelity susceptibility obeys the conventional scaling behavior for continuous phase transitions, supporting the idea that the deconfined quantum phase transition is continuous. We numerically determine the deconfined quantum critical point and the associated correlation length critical exponent from the finite-size-scaling theory of the fidelity susceptibility. Our results are consistent with recent results obtained directly from the matrix product states for infinite-size lattices using others observables. Our work provides a useful probe to study critical behaviors at the deconfined quantum critical point from the concept of quantum information.
The fidelity per site between two ground states of a quantum lattice system corresponding to different values of the control parameter defines a surface embedded in a Euclidean space. The Gaussian curvature naturally quantifies quantum fluctuations that destroy orders at transition points. It turns out that quantum fluctuations wildly distort the fidelity surface near the transition points, at which the Gaussian curvature is singular in the thermodynamic limit. As a concrete example, the one-dimensional quantum Ising model in a transverse field is analyzed. We also perform a finite size scaling analysis for the transverse Ising model of finite sizes. The scaling behavior for the Gaussian curvature is numerically checked and the correlation length critical exponent is extracted, which is consistent with the conformal invariance at the critical point.
The behavior of the ground-state fidelity susceptibility in the vicinity of a quantum critical point is investigated. We derive scaling relations describing its singular behavior in the quantum critical regime. Unlike in previous studies, these relations are solely expressed in terms of conventional critical exponents. We also describe in detail a quantum Monte Carlo scheme that allows for the evaluation of the fidelity susceptibility for a large class of many-body systems and apply it in the study of the quantum phase transition for the transverse-field Ising model on the square lattice. Finite-size analysis applied to the so-obtained numerical results confirms the validity of our scaling relations. Furthermore, we analyze the properties of a closely related quantity, the ground-state energy's second derivative, which can be numerically evaluated in a particularly efficient way. The usefulness of both quantities as alternative indicators of quantum criticality is examined.
We investigate the use of matrix product states (MPS) to approximate ground states of critical quantum spin chains with periodic boundary conditions (PBC). We identify two regimes in the (N,D)(N,D)(N,D) parameter plane, where NNN is the size of the spin chain and DDD is the dimension of the MPS matrices. In the first regime, MPS can be used to perform finite size scaling (FSS). In the complementary regime, the MPS simulations show instead the clear signature of finite entanglement scaling (FES). In the thermodynamic limit (or large NNN limit), only MPS in the FSS regime maintain a finite overlap with the exact ground state. This observation has implications on how to correctly perform FSS with MPS as well as on the performance of recent MPS algorithms for systems with PBC. It also gives clear evidence that critical models can actually be simulated very well with MPS by using the right scaling relations; in the appendixes, we give an alternative derivation of the result of Pollmann et al. [Phys. Rev. Lett. 102, 255701 (2009)] relating the bond dimension of the MPS to an effective correlation length.
The notion of fidelity in quantum information science has been recently applied to analyze quantum phase transitions from the viewpoint of the ground-state (GS) overlap for various many-body systems. In this work, we unveil the intrinsic relation between the GS fidelity and the derivatives of GS energy and find that they play an equivalent role in identifying the quantum phase transition. The general connection between the two approaches enables us to understand the different singularity and scaling behaviors of fidelity exhibited in various systems on general grounds. Our general conclusions are illustrated via several quantum spin models which exhibit different kinds of quantum phase transitions.