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arXiv:2211.04320 · Physical review. B./Physical review. B

Non-Gaussian variational wave functions for interacting bosons on a lattice

Tian Qian, José J. Fernández-Melgarejo, David Zueco, Javier Molina-Vilaplana

Published Jan 17, 2023• 1 citation
arXivHTMLPDF

Abstract

A variational method for studying the ground state of strongly interacting quantum many-body bosonic systems is presented. Our approach constructs a class of extensive variational non-Gaussian wave functions which extend Gaussian states by means of nonlinear canonical transformations (NLCTs) on the fields of the theory under consideration. We illustrate this method with the one-dimensional Bose-Hubbard model for which the proposal presented here provides a family of approximate ground states at arbitrarily large values of the interaction strength. We find that, for different values of the interaction, the non-Gaussian NLCT-trial states sensibly improve the ground-state energy estimation when the system is in the Mott phase.

DOI
10.1103/physrevb.107.035121

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A variational method for studying the ground state of strongly interacting quantum many-body bosonic systems is presented. Our approach constructs a class of extensive variational non-Gaussian wave functions which extend Gaussian states by means of nonlinear canonical transformations (NLCTs) on the fields of the theory under consideration. We illustrate this method with the one-dimensional Bose-Hubbard model for which the proposal presented here provides a family of approximate ground states at arbitrarily large values of the interaction strength. We find that, for different values of the interaction, the non-Gaussian NLCT-trial states sensibly improve the ground-state energy estimation when the system is in the Mott phase.
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.
We develop a variational wave function for the ground state of a one-dimensional bosonic lattice gas. The variational theory is initially developed for the quantum rotor model and later on extended to the Bose- Hubbard model. This theory is compared with quasi-exact numerical results obtained by Density Matrix Renormalization Group (DMRG) studies and with results from other analytical approximations. Our approach accurately gives local properties for strong and weak interactions, and it also describes the crossover from the superfluid phase to the Mott-insulator phase.
Abstract The study of ground-state properties of the Fermi-Hubbard model is a long-lasting task in the research of strongly correlated systems, and is crucial for the understanding of notable quantum phenomena including superconductivity and magnetism. Owing to the exponentially growing complexity of the system, a quantitative analysis usually demands high computational cost and is restricted to small samples, especially in two or higher dimensions. Here, we introduce a variational method in the frame of fermionic Gaussian states, and obtain the ground states of one- and two-dimensional attractive Hubbard models via imaginary-time evolution. We calculate the total energy and benchmark the results in a wide range of interaction strength and filling factor with those obtained via exact two-body results, the density matrix renormalization group based on matrix product states (MPS), and projector Quantum Monte Carlo (QMC) method. For both 1D and 2D cases, the Gaussian variational method presents accurate results for total energy with a maximum systematic error ∼ 4 % in the intermediate interaction region. The accuracy of these results has negligible dependence on the system size. We further calculate the double occupancy and find excellent agreement with MPS and QMC, as well as the experimental results of cold quantum gases in optical lattices. The results suggest that the Gaussian pairing state is a good approximation to the ground states of attractive Hubbard model, in particular in the strong and weak coupling limits. Moreover, we generalize the method to the attractive Hubbard model with a finite spin-polarization, which can be mapped to the repulsive interaction case via particle-hole transformation, and obtain accurate results of ground state energy and double occupancy. Our work demonstrates the ability of the Gaussian variational method to extract ground state properties of strongly correlated many-body systems with negligible computational cost, especially of large size and in higher dimensions.
We determine the ground-state properties of a gas of interacting bosonic atoms in a one-dimensional optical lattice. The system is modeled by the Bose-Hubbard Hamiltonian. We show how to apply the time-evolving block decimation method to systems with periodic boundary conditions and employ it as a reference to find the ground state of the Bose-Hubbard model. Results are compared with recently proposed approximate methods, such as Hartree-Fock-Bogoliubov (HFB) theories generalized for strong interactions and the variational Bijl-Dingle-Jastrow method. We find that all HFB methods do not bring any improvement to the Bogoliubov theory and therefore provide correct results only in the weakly interacting limit, where the system is deeply in the superfluid regime. On the other hand, the variational Bijl-Dingle-Jastrow method is applicable for much stronger interactions but is essentially limited to the superfluid regime as it reproduces the superfluid--Mott-insulator transition only qualitatively.
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.
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.