Variational methods are of fundamental importance and widely used in theoretical physics, especially for strongly interacting systems. In this work, we present a set of variational equations of state (VES) for pure states of an interacting quantum Hamiltonian. The VES can be expressed in terms of the variation of the density operators or static correlation functions. We derive the algebraic relationship between a known pure state density matrix and its variation, and obtain the VES by applying this relation to the averaged Heisenberg-equations-of-motion for the exact density matrix. Additionally, we provide a direct expression of the VES in terms of correlation functions to make it computable. We present three nontrivial applications of the VES: a perturbation calculation of correlation functions of the transverse field Ising model in arbitrary spatial dimensions, a study of a longitudinal field perturbation to the one-dimensional transverse field Ising model at the critical point and variational calculation of magnetization and ground state energy of the two-dimensional spin-1/2 Heisenberg model on a square lattice. For the second one, our results not only recover the scaling limit, but also indicate the possibility of continuous tuning of the critical exponents by adjusting the longitudinal fields differently from the scaling limit. For the Heisenberg model, we obtained results numerically comparable to established results with simple calculations. The VES approach provides a powerful and versatile tool for studying interacting quantum systems.
Variational methods are of fundamental importance and widely used in theoretical physics, especially for strongly interacting systems. In this work, we present a set of variational equations of state (VES) for pure states of an interacting quantum Hamiltonian. The VES can be expressed in terms of the variation of the density operators or static correlation functions. We derive the algebraic relationship between a known pure state density matrix and its variation, and obtain the VES by applying this relation to the averaged Heisenberg-equations-of-motion for the exact density matrix. Additionally, we provide a direct expression of the VES in terms of correlation functions to make it computable. We present three nontrivial applications of the VES: a perturbation calculation of correlation functions of the transverse field Ising model in arbitrary spatial dimensions, a study of a longitudinal field perturbation to the one-dimensional transverse field Ising model at the critical point and variational calculation of magnetization and ground state energy of the two-dimensional spin-1/2 Heisenberg model on a square lattice. For the second one, our results not only recover the scaling limit, but also indicate the possibility of continuous tuning of the critical exponents by adjusting the longitudinal fields differently from the scaling limit. For the Heisenberg model, we obtained results numerically comparable to established results with simple calculations. The VES approach provides a powerful and versatile tool for studying interacting quantum systems.
The quantum phase transitions provide a paradigm for studying collective quantum phenomena that are a result of competing non-commuting interactions. This paper will study the ground state properties and quantum critical dynamics of the one-dimensional transverse field Ising model through a combined perspective that includes exact diagonalisation, variational quantum eigensolver (VQE) simulations, and simulations on realistic physical quantum devices. We focus on a lattice of four spins, where we calculate the ground-state energies, magnetic order parameters and correlation functions at uniformly applied conditions, which is repeated by all systems. Precise diagonalisation provides both a benchmark, which is symmetry-conserving, and a depth-two, physics inspired variational approximation, which provides simulations accessible to hardware. The circuits that have been optimised identically are then placed on the IQM Garnet quantum processor, using a resource-efficient batched protocol. We find that the ground-state energies of shallow variational circuits are reliably captured by the circuit over the entire parameter space; the magnetic arrangement parameters and observables sensitive to correlation signal significantly more noise. The error analysis of quantitative analysis reveals a strong broadening of critical crossover on hardware, which is consistent with the noise attenuation of long-range correlations. These findings highlight the current capabilities as well as the fundamental limitations of noisy intermediate-scale quantum systems in modelling quantum critical phenomena as a benchmark to future enhancements in obtaining quantum hardware and quantum algorithms development.
We review various theoretical methods that have been used in recent years to calculate dynamical correlation functions of many-body systems. Time-dependent correlation functions and their associated frequency spectral densities are the quantities of interest, for they play a central role in both the theoretical and experimental understanding of dynamic properties. The calculation of the relaxation function is rather difficult in most cases of interest, except for a few examples where exact analytic expressions are allowed. For most of systems of interest approximation schemes must be used. The method of recurrence relation has, at its foundation, the solution of Heisenberg equation of motion of an operator in a many-body interacting system. Insights have been gained from theorems that were discovered with that method. For instance, the absence of pure exponential behavior for the relaxation functions of any Hamiltonian system. The method of recurrence relations was used in quantum systems such as dense electron gas, transverse Ising model, Heisenberg model, XY model, Heisenberg model with Dzyaloshinskii-Moriya interactions, as well as classical harmonic oscillator chains. Effects of disorder were considered in some of those systems. In the cases where analytical solutions were not feasible, approximation schemes were used, but are highly model-dependent. Another important approach is the numerically exact diagonalization method. It is used in finite-sized systems, which sometimes provides very reliable information of the dynamics at the infinite-size limit. In this work, we discuss the most relevant applications of the method of recurrence relations and numerical calculations based on exact diagonalizations.
We review various theoretical methods that have been used in recent years to calculate dynamical correlation functions of many-body systems. Time-dependent correlation functions and their associated frequency spectral densities are the quantities of interest, for they play a central role in both the theoretical and experimental understanding of dynamic properties. In particular, dynamic correlation functions appear in the fluctuation-dissipation theorem, where the response of a many-body system to an external perturbation is given in terms of the relaxation function of the unperturbed system, provided the disturbance is small. The calculation of the relaxation function is rather difficult in most cases of interest, except for a few examples where exact analytic expressions are allowed. For most of systems of interest approximation schemes must be used. The method of recurrence relation has, at its foundation, the solution of Heisenberg equation of motion of an operator in a many-body interacting system. Insights have been gained from theorems that were discovered with that method. For instance, the absence of pure exponential behavior for the relaxation functions of any Hamiltonian system. The method of recurrence relations was used in quantum systems such as dense electron gas, transverse Ising model, Heisenberg model, XY model, Heisenberg model with Dzyaloshinskii-Moriya interactions, as well as classical harmonic oscillator chains. Effects of disorder were considered in some of those systems. In the cases where analytical solutions were not feasible, approximation schemes were used, but are highly model-dependent. Another important approach is the numericallly exact diagonalizaton method. It is used in finite-sized systems, which sometimes provides very reliable information of the dynamics at the infinite-size limit. In this work, we discuss the most relevant applications of the method of recurrence relations and numerical calculations based on exact diagonalizations. The method of recurrence relations relies on the solution to the coefficients of a continued fraction for the Laplace transformed relaxation function. The calculation of those coefficients becomes very involved and, only a few cases offer exact solution. We shall concentrate our efforts on the cases where extrapolation schemes must be used to obtain solutions for long times (or low frequency) regimes. We also cover numerical work based on the exact diagonalization of finite sized systems. The numerical work provides some thermodynamically exact results and identifies some difficulties intrinsic to the method of recurrence relations.
We investigate an approach for studying the ground state of a quantum many-body Hamiltonian that is based on treating the correlation functions as variational parameters. In this approach, the challenge set by the exponentially-large Hilbert space is circumvented by approximating the positivity of the density matrix, order-by-order, in a way that keeps track of a limited set of correlation functions. In particular, the density-matrix description is replaced by a correlation matrix whose dimension is kept linear in system size, to all orders of the approximation. Unlike the conventional variational principle which provides an upper bound on the ground-state energy, in this approach one obtains a lower bound instead. By treating several one-dimensional spin 1/2 Hamiltonians, we demonstrate the ability of this approach to produce long-range correlations, and a ground-state energy that converges to the exact result. Possible extensions, including to higher-excited states are discussed.
Abstract We revisit Fradkin and Raby’s real-space renormalization-group method to study the quantum Z 2 gauge theory defined on links forming a two-dimensional square lattice. Following an old suggestion of theirs, a systematic perturbation expansion developed by Hirsch and Mazenko is used to improve the algorithm to second order in an intercell coupling, thereby incorporating the effects of discarded higher energy states. A careful derivation of gauge-invariant effective operators is presented in the Hamiltonian formalism. Renormalization group equations are analyzed near the nontrivial fixed point, reaffirming old work by Hirsch on the dual transverse field Ising model. In addition to recovering Hirsch’s previous findings, critical exponents for the scaling of the spatial correlation length and energy gap in the electric free (deconfined) phase are compared. Unfortunately, their agreement is poor. The leading singular behavior of the ground state energy density is examined near the critical point: we compute both a critical exponent and estimate a critical amplitude ratio.
A useful concept for finding numerically the dominant correlations of a given ground state in an interacting quantum lattice system in an unbiased way is the correlation density matrix (CDM). For two disjoint, separated clusters, it is defined to be the density matrix of their union minus the direct product of their individual density matrices and contains all the correlations between the two clusters. We show how to extract from the CDM a survey of the relative strengths of the system's correlations in different symmetry sectors and the nature of their decay with distance (power law or exponential), as well as detailed information on the operators carrying long-range correlations and the spatial dependence of their correlation functions. To achieve this goal, we introduce a new method of analysing the CDM, termed the dominant operator basis (DOB) method, which identifies in an unbiased fashion a small set of operators for each cluster that serve as a basis for the dominant correlations of the system. We illustrate this method by analysing the CDM for a spinless extended Hubbard model that features a competition between charge density correlations and pairing correlations, and show that the DOB method successfully identifies their relative strengths and dominant correlators. To calculate the ground state of this model, we use the density matrix renormalization group, formulated in terms of a variational matrix product state (MPS) approach within which subsequent determination of the CDM is very straightforward. In an extended appendix, we give a detailed tutorial introduction to our variational MPS approach for ground state calculations for one-dimensional quantum chain models. We present in detail how MPSs overcome the problem of large Hilbert space dimensions in these models and describe all the techniques needed for handling them in practice.