We explore a variational Ansatz for lattice quantum systems---named long-range entangled-plaquette state---in which pairs of clusters of adjacent lattice sites are correlated at any distance. The explicit scale-free structure of correlations built in this wave function makes it fit to reproduce critical states with long-range entanglement. The use of complex weights in the Ansatz allows for an efficient optimization of nonpositive definite states in a fully variational fashion, namely without any additional bias (arising, e.g., from pre-imposed sign structures) beyond that imposed by the parametrization of the state coefficients. These two features render the Ansatz particularly appropriate for the study of quantum phase transitions in frustrated systems. Moreover, the Ansatz can be systematically improved by increasing the long-range plaquette size, as well as by the inclusion of even larger adjacent-site plaquettes. We validate our Ansatz and its optimization procedure in the case of the XX and Heisenberg chain, and further apply it to the case of a simple, yet paradigmatic model of frustration, namely the ${J}_{1}\ensuremath{-}{J}_{2}$ antiferromagnetic Heisenberg chain. For this model we provide clear evidence that our trial wave function faithfully describes both the short-range physics (particularly in terms of ground-state energy) and the long-range one expressed by the Luttinger exponent, and the central charge of the related conformal field theory, which govern the decay of correlations and the scaling of the entanglement entropy, respectively. Finally we successfully reproduce the incommensurate correlations developing in the system at strong frustration, as a result of the flexible representation of sign (phase) structures via complex weights.
We study a variational wave function for the ground state of the two-dimensional
S=1∕2 Heisenberg antiferromagnet in the valence bond basis. The expansion coefficients are products of amplitudes
h(x,y) for valence bonds connecting spins separated by
(x,y) lattice spacings. In contrast to previous studies, in which a functional form for
h(x,y) was assumed, we here optimize all the amplitudes for lattices with up to $32\ifmmode\times\else\texttimes\fi{}32$ spins. We use two different schemes for optimizing the amplitudes; a Newton conjugate-gradient method and a stochastic method which requires only the signs of the first derivatives of the energy. The latter method performs significantly better. The energy for large systems deviates by only $\ensuremath{\approx}0.06%$ from its exact value (calculated using unbiased quantum Monte Carlo simulations). The spin correlations are also well reproduced, falling $\ensuremath{\approx}2%$ below the exact ones at long distances (corresponding to an $\ensuremath{\approx}1%$ underestimation of the sublattice magnetization). The amplitudes
h(r) for valence bonds of long length
r decay as ${r}^{\ensuremath{-}3}$. We also discuss some results for small frustrated lattices.
Various lattice geometries and boundary conditions are used to investigate valence-bond-solid (VBS) ordering in the ground state of an
S=1/2 square-lattice quantum spin model---the
J-
Q model, in which four- or six-spin interactions
Q are added to the standard Heisenberg exchange
J. Ground-state results for finite systems (with up to thousands of spins) are obtained using an unbiased projector quantum Monte Carlo method. It is found that great care has to be taken when extrapolating the order parameter to infinite lattice size, in particular, in cylinder geometry. Even though strong VBS order exists in two dimensions, and is established clearly with increasing system size on $L\ifmmode\times\else\texttimes\fi{}L$ lattices (or ${L}_{x}\ifmmode\times\else\texttimes\fi{}{L}_{y}$ lattices with a fixed aspect ratio
Lx/Ly of order 1), only short-range VBS correlations are observed on long cylinders (when ${L}_{x}\ensuremath{\rightarrow}\ensuremath{\infty}$ at fixed
Ly). The correlation length increases with the cylinder width, until long-range order sets in at a ``critical'' width. This width is very large even when the 2D order is relatively strong. For example, for a system in which the order parameter is
70 of the largest possible value,
Ly=8 is required for ordering. Extrapolations of the VBS order parameter based on correlation functions (the square of the order parameter) for small $L\ifmmode\times\else\texttimes\fi{}L$ lattices can also be misleading. For a
20-ordered system, results for
L up to $\ensuremath{\approx}$20 appear to extrapolate clearly to a vanishing order parameter, while for larger lattices the scaling behavior crosses over and extrapolates to a nonzero value (with exponentially small finite-size corrections). The VBS order parameter also exhibits interesting edge effects related the known emergent U(1) symmetry close to a ``deconfined'' critical point, which, if not considered properly, can lead to wrong conclusions for the thermodynamic limit. The observed finite-size behavior for small $L\ifmmode\times\else\texttimes\fi{}L$ lattices and long cylinders is very similar to that predicted for a
Z2 spin liquid. The results therefore raise concerns about recent numerical work claiming
Z2 spin-liquid ground states in 2D frustrated quantum spin systems, in particular, the Heisenberg model with nearest and next-nearest-neighbor couplings. Based on the results presented so far, a VBS state in this system cannot be ruled out.
In this thesis the quantum Monte Carlo loop algorithm is applied to study the properties of correlation functions in low-dimensional quantum antiferromagnets. Two different types of lattice models are investigated. The first system is the quantum critical XXZ chain. The second class of models emerges when coupling the square lattice Heisenberg model to phonons. In case of the quantum critical XXZ chain, the loop algorithm is used to compute the two-point spin and dimer correlation functions at low temperatures. Starting from the well-known asymptotic expressions from conformal field theory for the decay of the correlations, the crossover from the finite-temperature to the ground state behavior is investigated. In addtion, the Monte Carlo data are used to extract numerical estimates for the correlation amplitudes. The deviations from asymptotic scaling at low finite temperatures and intermediate distances are examined. The results are also used to study the algebraic and logarithmic corrections in the ground state. The method is further applied to compute the low-temperature spin correlations of the square lattice Heisenberg model coupled to dispersionless Einstein phonons. Also, statically dimerized Heisenberg models in two dimensions are investigated. Here the quantum Monte Carlo technique is used to determine the specific pattern of dimerized bonds which has the largest gain in the magnetic energy. A direct comparison of ground state energies is only possible for a small number of dimerized systems. For this reason an alternative approach is developed, which allows to study a significantly larger class of models. Starting from a Landau expansion of the free energy, this amounts to a computation of specific structure factors of the dimer correlations of the uniform Heisenberg model. As a consequence, a Landau theory for the two-dimensional counterpart of the spin-Peierls transition is established. This adiabatic approach also applies to the Heisenberg model coupled to dispersive phonons. In this case the data for the dimer correlations are used to study the impact of the spin-phonon coupling on the phonon dispersion relations. In particular, the softening of phonon modes is investigated, which is relevant for experimental studies on substances with a quasi two-dimensional magnetic structure.
We propose a new ansatz for the ground-state wave function of quantum many-body systems on a lattice. The key idea is to cover the lattice with plaquettes and obtain a state whose configurational weights can be optimized by means of a variational Monte Carlo algorithm. Such a scheme applies to any dimension, without any 'sign' instability. We show results for various two-dimensional spin models (including frustrated ones). A detailed comparison with available exact results, as well as with variational methods based on different ansatze, is offered. In particular, our numerical estimates are in quite good agreement with exact ones for unfrustrated systems, and compare favorably to other methods for frustrated ones.
We propose a new ansatz for the ground-state wave function of quantum many-body systems on a lattice. The key idea is to cover the lattice with plaquettes and obtain a state whose configurational weights can be optimized by means of a variational Monte Carlo algorithm. Such a scheme applies to any dimension, without any 'sign' instability. We show results for various two-dimensional spin models (including frustrated ones). A detailed comparison with available exact results, as well as with variational methods based on different ansatze, is offered. In particular, our numerical estimates are in quite good agreement with exact ones for unfrustrated systems, and compare favorably to other methods for frustrated ones.