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Multifractal properties of the ground state of the Bose-Hubbard model

Jakob Lindinger

Published Jan 1, 2017• 1 citation
Publisher

Abstract

In this thesis we present a first study of the multifractal properties of the ground state of the one-dimensional Bose-Hubbard model in Fock space using two different bases, Fock and momentum basis. In the beginning we give a brief overview of the properties of the Bose-Hubbard model, introduce the concept of multifractality, and discuss exact diagonalisation and quantum Monte Carlo, the numerical methods we employ throughout the present work. Then we treat the limits of vanishing and infinite bosonic interaction strengths analytically, and their vicinities by using perturbation theory. We find that the limit of vanishing interaction exhibits non-trivial multifractality in the Fock basis, and that the generalised fractal dimensions exhibit (dominantly) logarithmic finite-size corrections in this limit. Our observations for other values of the interaction strength suggest that this form of the corrections might be equally valid. In order to get access to the multifractal properties at arbitrary values of the interaction strength, we use exact diagonalisation (for system sizes up to L = 10 at unit filling) and quantum Monte Carlo simulations (which enable us to reach L = 30 in certain cases, corresponding to a Hilbert space of size N = 6*10^16, and therefore to one of the largest ever considered for a multifractal analysis). While we see that the generalised fractal dimensions in the Fock basis decrease monotonously when the interaction strength is increased, we observe an inverted behaviour in the momentum basis, i.e. a monotonous increase with increasing interaction strength. Furthermore, our results suggest the existence of non-trivial multifractality in the ground state for a large range of interaction values. Finally, we investigate whether it is possible to characterise the superfluid to Mott insulator transition with the help of multifractality. We find that an analysis of the generalised fractal dimensions for different densities exposes qualitatively the transition. We furthermore consider different ideas, originating from our results in combination with other approaches used in the literature, to quantitatively characterise the transition. While the investigated methods carry great potential, we confirmed that a quantitatively accurate location of the transition using these techniques, if possible, requires access to even larger system sizes.

DOI
10.6094/unifr/17497

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In this thesis we present a first study of the multifractal properties of the ground state of the one-dimensional Bose-Hubbard model in Fock space using two different bases, Fock and momentum basis. In the beginning we give a brief overview of the properties of the Bose-Hubbard model, introduce the concept of multifractality, and discuss exact diagonalisation and quantum Monte Carlo, the numerical methods we employ throughout the present work. Then we treat the limits of vanishing and infinite bosonic interaction strengths analytically, and their vicinities by using perturbation theory. We find that the limit of vanishing interaction exhibits non-trivial multifractality in the Fock basis, and that the generalised fractal dimensions exhibit (dominantly) logarithmic finite-size corrections in this limit. Our observations for other values of the interaction strength suggest that this form of the corrections might be equally valid. In order to get access to the multifractal properties at arbitrary values of the interaction strength, we use exact diagonalisation (for system sizes up to L = 10 at unit filling) and quantum Monte Carlo simulations (which enable us to reach L = 30 in certain cases, corresponding to a Hilbert space of size N = 6*10^16, and therefore to one of the largest ever considered for a multifractal analysis). While we see that the generalised fractal dimensions in the Fock basis decrease monotonously when the interaction strength is increased, we observe an inverted behaviour in the momentum basis, i.e. a monotonous increase with increasing interaction strength. Furthermore, our results suggest the existence of non-trivial multifractality in the ground state for a large range of interaction values. Finally, we investigate whether it is possible to characterise the superfluid to Mott insulator transition with the help of multifractality. We find that an analysis of the generalised fractal dimensions for different densities exposes qualitatively the transition. We furthermore consider different ideas, originating from our results in combination with other approaches used in the literature, to quantitatively characterise the transition. While the investigated methods carry great potential, we confirmed that a quantitatively accurate location of the transition using these techniques, if possible, requires access to even larger system sizes.
We demonstrate many-body multifractality of the Bose-Hubbard Hamiltonian's ground state in Fock space, for arbitrary values of the interparticle interaction. Generalized fractal dimensions unambiguously signal, even for small system sizes, the emergence of a Mott insulator that cannot, however, be naively identified with a localized phase in Fock space. We show that the scaling of the derivative of any generalized fractal dimension with respect to the interaction strength encodes the critical point of the superfluid to the Mott insulator transition, and provides an efficient way to accurately estimate its position. We further establish that the transition can be quantitatively characterized by one single wave function amplitude from the exponentially large Fock space.
The Bose-Hubbard model describes the physics of a system of bosonic ultracold atoms in an optical lattice, in which a phase transition is present between a superfluid phase and a Mott insulator one. \nThe exact solution of this Hamiltonian is only feasible to find the ground-state of small systems, while other techniques (as mean-field schemes or quantum Monte Carlo) are necessary to study systems of larger size. \n \nAs a first application, we study the trapped model - relevant for the comparison with current experiments - through an inhomogeneous mean-field scheme. We describe some signatures of the phase crossover between superfluid and Mott insulator. In particular, the visibility of the quasimomentum distribution shows some kinks as a function of the lattice depth; we describe these features and we link them with the ones observed in other works in the literature. \n \nAs a second application, we use quantum Monte Carlo techniques to study the one-dimensional Bose-Hubbard model with long-range interactions and we focus on the appearance of the Haldane insulating phase, distinguishable from the Mott one through the presence of non-local hidden order. \nNon-local correlation functions are also used to describe the difference between the superfluid phase and the Mott insulator one.
The study of interacting quantum many-body systems is constrained by the exponential growth of the Hilbert space with system size, which limits both numerical simulations and theoretical understanding. This thesis explores how the interplay between disorder and interactions shapes localization and ergodicity in quantum many-body systems, using the exact diagonalization method, and how machine learning can serve as an alternative approach for studying these systems. We first investigate the many-body localization problem in a one-dimensional SU(2)-invariant random antiferromagnetic Heisenberg chain using exact and sparse matrix diagonalization methods. By analyzing energy level gap-ratio statistics, participation ratio, entanglement entropy and the entanglement spectral parameter as a function of disorder strength under di!erent random coupling distributions, we identify clear qualitative di!erences from the widely studied random field Heisenberg chain. For system sizes up to L = 24, signatures of localized behaviour are much less pronounced than in the case of the random field model. Motivated by the limitations of conventional numerical methods, we examine machine learning as a scalable paradigm for many-body physics. Using the Bose- Hubbard model in one and two dimensions as a benchmark, we test HUBBARDNET, a deep neural network architecture, by replacing standard stochastic gradient descent with adaptive moment estimation (ADAM), adjusting the learning rate for improved optimization, and introducing physics-informed output activations that can resolve extremely small wave-function amplitudes. This approach yields ground-state energy errors reduced by orders of magnitude and wave function fidelities exceeding 99%, remaining robust across four decades of interaction strength and over superfluid, Mott-insulating, and quantum chaotic regimes. Beyond energy prediction, the trained models accurately reproduce generalized inverse participation ratios and multifractal dimensions for ground and excited states, capturing localization, delocalization, and multifractality across the spectrum, with excited-state training explicitly guided by fractal dimensions that encode the multifractal properties of the wave functions.
Motivated by recent experiments, we study the relaxation dynamics and thermalization in the one-dimensional Bose-Hubbard model induced by a global interaction quench. Specifically, we start from an initial state that has exactly one boson per site and is the ground state of a system with infinitely strong repulsive interactions at unit filling. Using exact diagonalization and the density-matrix renormalization-group method, we compute the time dependence of such observables as the multiple occupancy and the momentum distribution function. Typically, the relaxation to stationary values occurs over just a few tunneling times. The stationary values are identical to the so-called diagonal ensemble on the system sizes accessible to our numerical methods and we further observe that the microcanonical ensemble describes the time averages of many observables reasonably well for small and intermediate interaction strength. The expectation values of observables in the canonical ensemble agree quantitatively with the time averages obtained from the quench at small interaction strengths, and qualitatively provide a good description even in parameter regimes where the microcanonical ensemble is not applicable due to finite-size effects. We discuss our numerical results in the framework of the eigenstate thermalization hypothesis. Moreover, we also observe that the diagonal and the canonical ensembles are practically identical for our initial conditions already on the level of their respective energy distributions for small interaction strengths. Finally, we discuss implications of our results for the interpretation of a recent sudden expansion experiment [Phys. Rev. Lett. 110, 205301 (2013)], in which the same interaction quench was realized.
Here, we investigate the fractal-lattice Hubbard model using various numerical methods: exact diagonalization, the self-consistent diagonalization of a (mean-field) Hartree-Fock Hamiltonian and state-of-the-art Auxiliary-Field Quantum Monte Carlo. We focus on the Sierpinski triangle with Hausdorff dimension 1.58 and consider several generations. In the tight-binding limit, we find compact localised states, which are also explained in terms of symmetry and linked to the formation of a ferrimagnetic phase at weak interaction. Simulations at half-filling revealed the persistence of this type of magnetic order for every value of interaction strength and a Mott transition for U/t ∼ 4.5. In addition, we found a remarkable dependence on the Hausdorff dimension regarding i) the number of compact localised states in different generations, ii) the scaling of the total many-body ground-state energy in the tight-binding limit, and iii) the density of the states at the corners of the lattice for specific values of electronic filling. Moreover, in the presence of an intrinsic spin-orbit coupling, the zero-energy compact localized states become entangled and give rise to inner and outer corner modes.