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Register a new userVariational Monte Carlo method for fermionic models combined with tensor networks and applications to the hole-doped two-dimensional Hubbard model
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The conventional tensor-network states employ real-space product states as reference wave functions. Here, we propose a many-variable variational Monte Carlo (mVMC) method combined with tensor networks by taking advantages of both to study fermionic models. The variational wave function is composed of a pair product wave function operated by real space correlation factors and tensor networks. Moreover, we can apply quantum number projections, such as spin, momentum and lattice symmetry projections, to recover the symmetry of the wave function to further improve the accuracy. We benchmark our method for one- and two-dimensional Hubbard models, which show significant improvement over the results obtained individually either by mVMC or by tensor network. We have applied the present method to hole doped Hubbard model on the square lattice, which indicates the stripe charge/spin order coexisting with a weak $d$-wave superconducting order in the ground state for the doping concentration less than 0.3, where the stripe oscillation period gets longer with increasing hole concentration. The charge homogeneous and highly superconducting state also exists as a metastable excited state for the doping concentration less than 0.25.
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We report large scale determinant Quantum Monte Carlo calculations of the effective bandwidth, momentum distribution, and magnetic correlations of the square lattice fermion Hubbard Hamiltonian at half-filling. The sharp Fermi surface of the non-interacting limit is significantly broadened by the electronic correlations, but retains signatures of the approach to the edges of the first Brillouin zone as the density increases. Finite size scaling of simulations on large lattices allows us to extract the interaction dependence of the antiferromagnetic order parameter, exhibiting its evolution from weak coupling to the strong coupling Heisenberg limit. Our lattices provide improved resolution of the Greens function in momentum space, allowing a more quantitative comparison with time-of-flight optical lattice experiments.
A variational Monte Carlo method for bosonic lattice models is introduced. The method is based on the Baeriswyl projected wavefunction. The Baeriswyl wavefunction consists of a kinetic energy based projection applied to the wavefunction at infinite interaction, and is related to the shadow wavefunction already used in the study of continuous models of bosons. The wavefunction 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 applied the Recurrent Variational Approach to the two-leg Hubbard ladder. At half-filling, our variational Ansatz was a generalization of the resonating valence bond state. At finite doping, hole pairs were allowed to move in the resonating valence bond background. The results obtained by the Recurrent Variational Approach were compared with results from Density Matrix Renormalization Group.
The rich phenomenology of twisted bilayer graphene (TBG) near the magic angle is believed to arise from electron correlations in topological flat bands. An unbiased approach to this problem is highly desirable, but also particularly challenging, given the multiple electron flavors, the topological obstruction to defining tight binding models and the long-ranged Coulomb interactions. While numerical simulations of realistic models have thus far been confined to zero temperature, typically excluding some spin or valley species, analytic progress has relied on fixed point models away from the realistic limit. Here we present for the first time unbiased Monte Carlo simulations of realistic models of magic angle TBG at charge-neutrality. We establish the absence of a sign problem for this model in a momentum space approach, and describe a computationally tractable formulation that applies even on breaking chiral symmetry and including band dispersion. Our results include (i) the emergence of an insulating Kramers inter-valley coherent ground state in competition with a correlated semi-metal phase, (ii) detailed temperature evolution of order parameters and electronic spectral functions which reveal a `pseudogap regime, in which gap features are established at a higher temperature than the onset of order and (iii) predictions for electronic tunneling spectra and their evolution with temperature. Our results pave the way towards uncovering the physics of magic angle graphene through exact simulations of over a hundred electrons across a wide temperature range.
We show that the formalism of tensor-network states, such as the matrix product states (MPS), can be used as a basis for variational quantum Monte Carlo simulations. Using a stochastic optimization method, we demonstrate the potential of this approach by explicit MPS calculations for the transverse Ising chain with up to N=256 spins at criticality, using periodic boundary conditions and D*D matrices with D up to 48. The computational cost of our scheme formally scales as ND^3, whereas standard MPS approaches and the related density matrix renromalization group method scale as ND^5 and ND^6, respectively, for periodic systems.
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