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arXiv:1909.06050 · Physical review. B./Physical review. B

Superfluid weight and polarization amplitude in the one-dimensional bosonic Hubbard model

Balázs Hetényi, Luís Miguel Martelo, B. Tanatar

Published Nov 25, 2019• 2 citations
arXivHTMLPDF

Abstract

We calculate the superfluid weight and the polarization amplitude for the one-dimensional bosonic Hubbard model with focus on the strong-coupling regime via variational, exact diagonalization, and strong coupling calculations. Our variational approach is based on the Baeriswyl wave function, implemented via Monte Carlo sampling. We derive the superfluid weight appropriately in a variational setting. We emphasize the importance of implementing the Peierls phase in position space and to allow for many-body interference effects, rather than implementing the Peierls phase as single particle momentum shifts. At integer filling, the Baeriswyl wave function gives zero superfluid response at any coupling. At half filling our variational superfluid weight is in reasonable agreement with exact diagonalization results. We also calculate the polarization amplitude, the variance of the total position, and the associated size scaling exponent, which corroborate that this variational approach produces an insulating state at integer filling. Our Baeriswyl based variational method is applicable to significantly larger system sizes than exact diagonalization or quantum Monte Carlo.

DOI
10.1103/physrevb.100.174517

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We calculate the superfluid weight and the polarization amplitude for the one-dimensional bosonic Hubbard model with focus on the strong-coupling regime via variational, exact diagonalization, and strong coupling calculations. Our variational approach is based on the Baeriswyl wave function, implemented via Monte Carlo sampling. We derive the superfluid weight appropriately in a variational setting. We emphasize the importance of implementing the Peierls phase in position space and to allow for many-body interference effects, rather than implementing the Peierls phase as single particle momentum shifts. At integer filling, the Baeriswyl wave function gives zero superfluid response at any coupling. At half filling our variational superfluid weight is in reasonable agreement with exact diagonalization results. We also calculate the polarization amplitude, the variance of the total position, and the associated size scaling exponent, which corroborate that this variational approach produces an insulating state at integer filling. Our Baeriswyl based variational method is applicable to significantly larger system sizes than exact diagonalization or quantum Monte Carlo.
A variational Monte Carlo method for bosonic lattice models is introduced. The method is based on the Baeriswyl projected wave function. The Baeriswyl wave function consists of a kinetic energy based projection applied to the wave function at infinite interaction, and is related to the shadow wave function already used in the study of continuous models of bosons. The wave function at infinite interaction, and the projector, are represented in coordinate space, leading to an expression for expectation values which can be evaluated via Monte Carlo sampling. We calculate the phase diagram and other properties of the bosonic Hubbard model. The calculated phase diagram is in excellent agreement with known quantum Monte Carlo results. We also analyze correlation functions.
We present results for the single-particle spectral weight function for the two-dimensional Hubbard model. Results were obtained using analytic expressions for the first two moments of the spectral weight function, along with numerical calculations using a combination of quantum Monte Carlo and the maximum-entropy method of analytic continuation. The expressions for the first two moments are surprisingly simple, involving only the parameters of the model, the chemical potential, and the filling. At half-filling, the squared width (variance) of the spectral weight is exactly U2{\mathit{U}}^{2}U2/4. Numerical results are shown for 8\ifmmode\times\else\texttimes\fi{}8 lattices at a variety of fillings and momenta. The insulating antiferromagnetic gap in the spectral weights, readily apparent in the results at half-filling, is absent at a filling of 0.95.
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 calculate the behaviour of the momentum distribution function n ( k ) for the ground state of the one-dimensional Hubbard model with arbitrary band filling in the weak-coupling regime. For the incommensurate case and U > 0 we derive the variation of n ( k ) in the vicinity of the Fermi wave vector k F and find a power law behaviour with a maximum exponent of one instead of a discontinuous jump. We also make a comparison with the n ( k ) obtained from recent Monte Carlo simulations and conclude that these numerical results are still seriously affected by finite-size effects. We finally consider the half-filled band and find a linear variation of n ( k ) close to k F , the scale being set by the charge gap of the Hubbard model.
The ground state of the Hubbard model on one-dimensional and two-dimensional square lattices is studied with the effective Hamiltonian derived for the strong correlation regime and Gutzwiller-type wave function. The non-half-filled band as well as the half-filled band is discussed. The variational Monte-Carlo method enables us to evaluate the energy for the singlet liquid (resonating-valence-bond state) and for Néel state. The result shows that the stability of the singlet liquid depends on the dimensionality of the system.
The values of the insulator gap Δ in one-dimensional systems of interacting bosons described by the Hubbard Hamiltonian are calculated at low temperatures by the quantum world-line Monte Carlo algorithm. The dependence of Δ on the size of the system, the temperature, and the parameters of the model is investigated. It is shown that a chain with N a =50 sites is already sufficient to estimate the thermodynamic value of the critical quantity ( t/U ) c for which a transition from the insulator into the superfluid state occurs in a commensurate system. To within the computational error, this value, ( t/U ) c =0.300±0.005, agrees with the value ( t/U ) c =0.304±0.002 obtained previously by the combined “exact diagonalization + renormalization-group analysis” method. The characteristic Kosterlitz-Thouless behavior of the insulator gap is demonstrated near the critical region: Δ∼exp[− b (1− t/t c ) −1/2 ].