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arXiv:1907.04837 · Physical review. B./Physical review. B

Gaussian time-dependent variational principle for the Bose-Hubbard model

Tommaso Guaita, Lucas Hackl, Tao Shi, Claudius Hubig, Eugene Demler, J. I. Cirac

Published Sep 24, 2019• 45 citations
arXivHTMLPDF

Abstract

We systematically extend Bogoliubov theory beyond the mean-field approximation of the Bose-Hubbard model in the superfluid phase. Our approach is based on the time-dependent variational principle applied to the family of all Gaussian states (i.e., Gaussian TDVP). First, we find the best ground-state approximation within our variational class using imaginary time evolution in 1D, 2D, and 3D. We benchmark our results by comparing to Bogoliubov theory and DMRG in 1D. Second, we compute the approximate one- and two-particle excitation spectrum as eigenvalues of the linearized projected equations of motion (linearized TDVP). We find the gapless Goldstone mode, a continuum of two-particle excitations and a doublon mode. We discuss the relation of the gap between Goldstone mode and two-particle continuum to the excitation energy of the Higgs mode. Third, we compute linear response functions for perturbations describing density variation and lattice modulation and discuss their relations to experiment. Our methods can be applied to any perturbations that are linear or quadratic in creation/annihilation operators. Finally, we provide a comprehensive overview how our results are related to well-known methods, such as traditional Bogoliubov theory and random phase approximation.

DOI
10.1103/physrevb.100.094529

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We systematically extend Bogoliubov theory beyond the mean-field approximation of the Bose-Hubbard model in the superfluid phase. Our approach is based on the time-dependent variational principle applied to the family of all Gaussian states (i.e., Gaussian TDVP). First, we find the best ground-state approximation within our variational class using imaginary time evolution in 1D, 2D, and 3D. We benchmark our results by comparing to Bogoliubov theory and DMRG in 1D. Second, we compute the approximate one- and two-particle excitation spectrum as eigenvalues of the linearized projected equations of motion (linearized TDVP). We find the gapless Goldstone mode, a continuum of two-particle excitations and a doublon mode. We discuss the relation of the gap between Goldstone mode and two-particle continuum to the excitation energy of the Higgs mode. Third, we compute linear response functions for perturbations describing density variation and lattice modulation and discuss their relations to experiment. Our methods can be applied to any perturbations that are linear or quadratic in creation/annihilation operators. Finally, we provide a comprehensive overview how our results are related to well-known methods, such as traditional Bogoliubov theory and random phase approximation.
We propose a variational framework for the efficient simulation of stochastic quantum dynamics in interacting bosonic systems. Our method generalizes the time-dependent variational principle to accommodate quantum state diffusion processes and is tailored for describing quantum trajectories unraveled from a master equation. We adopt a wavefunction ansatz composed of a coherent superposition of Gaussian wavepackets, which allows the fully analytical assembly of the variational equations of motion while capturing both the quantum trajectory dynamics and the Lindblad evolution beyond semiclassical approximations. The method is carefully benchmarked on a Bose-Hubbard dimer, and applied to extended Bose-Hubbard lattices in both 1D and 2D. In particular, we show the emergence of a symmetry-breaking phase transition in 2D lattices, which is absent in 1D chains.
We use strong-coupling perturbation theory, the variational cluster approach (VCA), and the dynamical density-matrix renormalization group (DDMRG) method to investigate static and dynamical properties of the one-dimensional Bose--Hubbard model in both the Mott-insulating and superfluid phases. From the von Neumann entanglement entropy we determine the central charge and the transition points for the first two Mott lobes. Our DMRG results for the ground-state energy, momentum distribution function, boson correlation function decay, Mott gap, and single-particle spectral function are reproduced very well by the strong-coupling expansion to fifth order, and by VCA with clusters up to 12 sites as long as the ratio between the hopping amplitude and onsite repulsion, t/Ut/Ut/U, is smaller than 0.15 and 0.25, respectively. In addition, in the superfluid phase VCA captures well the ground-state energy and the sound velocity of the linear phonon modes. This comparison provides an authoritative estimate for the range of applicability of these methods. In strong-coupling theory for the Mott phase, the dynamical structure factor is obtained from the solution of an effective single-particle problem with an attractive potential. The resulting resonances show up as double-peak structures close to the Brillouin zone boundary. These high-energy features also appear in the superfluid phase which is characterized by a pronounced phonon mode at small momenta and energies, as predicted by Bogoliubov and field theory. In one dimension, there are no traces of an amplitude mode in the dynamical single-particle and two-particle correlation functions.
Convergence properties of the variational cluster approach with respect to the variational parameter space, cluster size, and boundary conditions of the reference system are investigated and discussed for bosonic many-body systems. Specifically, the variational cluster approach is applied to the one-dimensional Bose-Hubbard model, which exhibits a quantum phase transition from Mott to superfluid phase. In order to benchmark the variational cluster approach, results for the phase boundary delimiting the first Mott lobe are compared with essentially exact density matrix renormalization group data. Furthermore, static quantities, such as the ground state energy and the one-particle density matrix are compared with high-order strong coupling perturbation theory results. For reference systems with open boundary conditions the variational parameter space is extended by an additional variational parameter which allows for a more uniform particle density on the reference system and thus drastically improves the results. It turns out that the variational cluster approach yields accurate results with relatively low-computational effort for both the phase boundary as well as the static properties of the one-dimensional Bose-Hubbard model, even at the tip of the first Mott lobe where correlation effects are most pronounced.
We present a new variational method for investigating the ground state and out of equilibrium dynamics of quantum many-body bosonic and fermionic systems. Our approach is based on constructing variational wavefunctions which extend Gaussian states by including generalized canonical transformations between the fields. The key advantage of such states compared to simple Gaussian states is presence of non-factorizable correlations and the possibility of describing states with strong entanglement between particles. In contrast to the commonly used canonical transformations, such as the polaron or Lang-Firsov transformations, we allow parameters of the transformations to be time dependent, which extends their regions of applicability. We derive equations of motion for the parameters characterizing the states both in real and imaginary time using the differential structure of the variational manifold. The ground state can be found by following the imaginary time evolution until it converges to a steady state. Collective excitations in the system can be obtained by linearizing the real-time equations of motion in the vicinity of the imaginary time steady-state solution. Our formalism allows us not only to determine the energy spectrum of quasiparticles and their lifetime, but to obtain the complete spectral functions and to explore far out of equilibrium dynamics such as coherent evolution following a quantum quench. We illustrate and benchmark this framework with several examples: a single polaron in the Holstein and Su-Schrieer-Heeger models, non-equilibrium dynamics in the spin-boson and Kondo models, the superconducting to charge density wave phase transitions in the Holstein model.
Taking inspiration from the state-of-the art knowledge of the Bose-Hubbard (BH) model and recent methodological developments in its fermionic counterpart, this work deals with the study of the collective dynamics of a lattice Bose gas beyond the mean-field picture through a quantum description of its elementary excitations. The Hamiltonian quantization, performed via a Bogoliubov quadratization of the BH action within the Gutzwiller approach, allows to expand the effective action of the theory up to second order in the fluctuations around the mean-field solution, as well as to prefigure the possibility of identifying the main decay vertices of the collective modes and other effects that are not evident at the second-order level. This quantum description extends the standard Bogoliubov approach to the study of superfluid Bose systems for comprising higher excitation branches, including the Higgs mode in the superfluid phase, and identifies their physical meaning together with appropriate observables which could be taken into consideration for their experimental characterization. The ultimate aim of the quantization procedure is the determination of fundamental quantities as the depletion of the condensate and the effective superfluid fraction, which are not accessible by a mean-field description or not completely characterized in the regime of strong interactions.
The dynamics of the collective excitations of a lattice Bose gas at zero temperature is systematically investigated using the time-dependent Gutzwiller mean-field approach. The excitation modes are determined within the framework of the linear-response theory as solutions of the generalized Bogoliubov--de Gennes equations valid in the superfluid and Mott-insulator phases at arbitrary values of parameters. The expression for the sound velocity derived in this approach coincides with the hydrodynamic relation. We calculate the transition amplitudes for the excitations in the Bragg scattering process and show that the higher excitation modes make significant contributions. We simulate the dynamics of the density perturbations and show that their propagation velocity in the limit of week perturbation is satisfactorily described by the predictions of the linear-response analysis.