Error estimates for extrapolations with matrix-product states

We introduce a new error measure for matrix-product states without requiring the relatively costly two-site density matrix renormalization group (2DMRG). This error measure is based on an approximation of the full variance $\langle \psi | ( \hat H - E )^2 |\psi \rangle$. When applied to a series of matrix-product states at different bond dimensions obtained from a single-site density matrix renormalization group (1DMRG) calculation, it allows for the extrapolation of observables towards the zero-error case representing the exact ground state of the system. The calculation of the error measure is split into a sequential part of cost equivalent to two calculations of $\langle \psi | \hat H | \psi \rangle$ and a trivially parallelized part scaling like a single operator application in 2DMRG. The reliability of the new error measure is demonstrated at four examples: the $L=30, S=\frac{1}{2}$ Heisenberg chain, the $L=50$ Hubbard chain, an electronic model with long-range Coulomb-like interactions and the Hubbard model on a cylinder of size $10 \times 4$. Extrapolation in the new error measure is shown to be on-par with extrapolation in the 2DMRG truncation error or the full variance $\langle \psi | ( \hat H - E )^2 |\psi \rangle$ at a fraction of the computational effort.Comment: 10 pages, 11 figure

Interaction quench and thermalization in a one-dimensional topological Kondo insulator

We study the nonequilibrium dynamics of a one-dimensional topological Kondo insulator, modelled by a $p$-wave Anderson lattice model, following a quantum quench of the on-site interaction strength. Our goal is to examine how the quench influences the topological properties of the system, therefore our main focus is the time evolution of the string order parameter, entanglement spectrum and the topologically-protected edge states. We point out that postquench local observables can be well captured by a thermal ensemble up to a certain interaction strength. Our results demonstrate that the topological properties after the interaction quench are preserved. Though the absolute value of the string order parameter decays in time, the analysis of the entanglement spectrum, Loschmidt echo and the edge states indicates the robustness of the topological properties in the time-evolved state. These predictions could be directly tested in state-of-the-art cold-atom experiments.Comment: 8.5 pages, 11 figure

Generic Construction of Efficient Matrix Product Operators

Matrix Product Operators (MPOs) are at the heart of the second-generation Density Matrix Renormalisation Group (DMRG) algorithm formulated in Matrix Product State language. We first summarise the widely known facts on MPO arithmetic and representations of single-site operators. Second, we introduce three compression methods (Rescaled SVD, Deparallelisation and Delinearisation) for MPOs and show that it is possible to construct efficient representations of arbitrary operators using MPO arithmetic and compression. As examples, we construct powers of a short-ranged spin-chain Hamiltonian, a complicated Hamiltonian of a two-dimensional system and, as proof of principle, the long-range four-body Hamiltonian from quantum chemistry.Comment: 13 pages, 10 figure

Dynamical topological quantum phase transitions in nonintegrable models

We consider sudden quenches across quantum phase transitions in the $S=1$ XXZ model starting from the Haldane phase. We demonstrate that dynamical phase transitions may occur during these quenches that are identified by nonanalyticities in the rate function for the return probability. In addition, we show that the temporal behavior of the string order parameter is intimately related to the subsequent dynamical phase transitions. We furthermore find that the dynamical quantum phase transitions can be accompanied by enhanced two-site entanglement.Comment: 5+1 pages, 4+1 figure

Spin-charge separation in cold Fermi-gases: a real time analysis

Using the adaptive time-dependent density-matrix renormalization group method for the 1D Hubbard model, the splitting of local perturbations into separate wave packets carrying charge and spin is observed in real-time. We show the robustness of this separation beyond the low-energy Luttinger liquid theory by studying the time-evolution of single particle excitations and density wave packets. A striking signature of spin-charge separation is found in 1D cold Fermi gases in a harmonic trap at the boundary between liquid and Mott-insulating phases. We give quantitative estimates for an experimental observation of spin-charge separation in an array of atomic wires

Entanglement scaling in critical two-dimensional fermionic and bosonic systems

We relate the reduced density matrices of quadratic bosonic and fermionic models to their Green's function matrices in a unified way and calculate the scaling of bipartite entanglement of finite systems in an infinite universe exactly. For critical fermionic 2D systems at T=0, two regimes of scaling are identified: generically, we find a logarithmic correction to the area law with a prefactor dependence on the chemical potential that confirms earlier predictions based on the Widom conjecture. If, however, the Fermi surface of the critical system is zero-dimensional, we find an area law with a sublogarithmic correction. For a critical bosonic 2D array of coupled oscillators at T=0, our results show that entanglement follows the area law without corrections.Comment: 4 pages, 4 figure

Haldane Gap and Hidden Order in the S=2 Antiferromagnetic Quantum Spin Chain

We have investigated Haldane's conjecture for the S=2 isotropic antiferromagnetic quantum spin chain with nearest-neighbor exchange J. Using a density matrix renormalization group algorithm for chains up to L=350 spins, we find in the thermodynamic limit a finite spin gap of Delta = 0.085(5)J and a finite spin-spin correlation length xi = 49(1) lattice spacings. We establish the ground state energy per bond to be E_0=-4.761248(1)J. We show that the ground state has a hidden topological order that is revealed in a nonlocal string correlation function. This means that the physics of the S=2 chain can be captured by a valence-bond solid description. We also observe effective free spin-1 states at the ends of an open S=2 chain.Comment: 6 pages, LaTeX 2.09, 3 PostScript figure

Comprehensive quantum Monte Carlo study of the quantum critical points in planar dimerized/quadrumerized Heisenberg models

We study two planar square lattice Heisenberg models with explicit dimerization or quadrumerization of the couplings in the form of ladder and plaquette arrangements. We investigate the quantum critical points of those models by means of (stochastic series expansion) quantum Monte Carlo simulations as a function of the coupling ratio $\alpha = J^\prime/J$. The critical point of the order-disorder quantum phase transition in the ladder model is determined as $\alpha_\mathrm{c} = 1.9096(2)$ improving on previous studies. For the plaquette model we obtain $\alpha_\mathrm{c} = 1.8230(2)$ establishing a first benchmark for this model from quantum Monte Carlo simulations. Based on those values we give further convincing evidence that the models are in the three-dimensional (3D) classical Heisenberg universality class. The results of this contribution shall be useful as references for future investigations on planar Heisenberg models such as concerning the influence of non-magnetic impurities at the quantum critical point.Comment: 10+ pages, 7 figures, 4 table

The Haldane gap for the S=2 antiferromagnetic Heisenberg chain revisited

Using the density matrix renormalization group (DMRG) technique, we carry out a large scale numerical calculation for the S=2 antiferromagnetic Heisenberg chain. Performing systematic scaling analysis for both the chain length $L$ and the number of optimal states kept in the iterations $m$, the Haldane gap $\Delta (2)$ is estimated accurately as $(0.0876\pm0.0013)J$. Our systematic analysis for the S=2 chains not only ends the controversies arising from various DMRG calculations and Monte Carlo simulations, but also sheds light on how to obtain reliable results from the DMRG calculations for other complicated systems.Comment: 4 pages and 1 figur

Spatial correlations of trapped 1d bosons in an optical lattice

We investigate a quasi-one dimensional system of trapped cold bosonic atoms in an optical lattice by using the density matrix renormalization group to study the Bose-Hubbard model at T=0 for experimentally realistic numbers of lattice sites. It is shown that a properly rescaled one-particle density matrix characterizes superfluid versus insulating states just as in the homogeneous system. For typical parabolic traps we also confirm the widely used local density approach for describing correlations in the limit of weak interaction. Finally, we note that the superfluid to Mott-insulating transition is seen most directly in the half width of the interference peak