A method for analytic continuation of imaginary-time correlation functions (here obtained in quantum Monte Carlo simulations) to real-frequency spectral functions is proposed. Stochastically sampling a spectrum parametrized by a large number of delta
-functions, treated as a statistical-mechanics problem, it avoids distortions caused by (as demonstrated here) configurational entropy in previous sampling methods. The key development is the suppression of entropy by constraining the spectral weight to within identifiable optimal bounds and imposing a set number of peaks. As a test case, the dynamic structure factor of the S=1/2 Heisenberg chain is computed. Very good agreement is found with Bethe Ansatz results in the ground state (including a sharp edge) and with exact diagonalization of small systems at elevated temperatures.
We use a non-equilibrium simulation method to study the spin glass transition in three-dimensional Ising spin glasses. The transition point is repeatedly approached at finite velocity $v$ (temperature change versus time) in Monte Carlo simulations st
arting at a high temperature. The normally problematic critical slowing-down is not hampering this kind of approach, since the system equilibrates quickly at the initial temperature and the slowing-down is merely reflected in the dynamic scaling of the non-equilibrium order parameter with $v$ and the system size. The equilibrium limit does not have to be reached. For the dynamic exponent we obtain $z = 5.85(9)$ for bimodal couplings distribution and $z=6.00(10)$ for the Gaussian case, thus supporting universal dynamic scaling (in contrast to recent claims of non-universal behavior).
We discuss an Ising spin glass where each $S=1/2$ spin is coupled antiferromagnetically to three other spins (3-regular graphs). Inducing quantum fluctuations by a time-dependent transverse field, we use out-of-equilibrium quantum Monte Carlo simulat
ions to study dynamic scaling at the quantum glass transition. Comparing the dynamic exponent and other critical exponents with those of the classical (temperature-driven) transition, we conclude that quantum annealing is less efficient than classical simulated annealing in bringing the system into the glass phase. Quantum computing based on the quantum annealing paradigm is therefore inferior to classical simulated annealing for this class of problems. We also comment on previous simulations where a parameter is changed with the simulation time, which is very different from the true Hamiltonian dynamics simulated here.
We test an improved finite-size scaling method for reliably extracting the critical temperature $T_{rm BKT}$ of a Berezinskii-Kosterlitz-Thouless (BKT) transition. Using known single-parameter logarithmic corrections to the spin stiffness $rho_s$ at
$T_{rm BKT}$ in combination with the Kosterlitz-Nelson relation between the transition temperature and the stiffness, $rho_s(T_{rm BKT})=2T_{rm BKT}/pi$, we define a size dependent transition temperature $T_{rm BKT}(L_1,L_2)$ based on a pair of system sizes $L_1,L_2$, e.g., $L_2=2L_1$. We use Monte Carlo data for the standard two-dimensional classical XY model to demonstrate that this quantity is well behaved and can be reliably extrapolated to the thermodynamic limit using the next expected logarithmic correction beyond the ones included in defining $T_{rm BKT}(L_1,L_2)$. For the Monte Carlo calculations we use GPU (graphical processing unit) computing to obtain high-precision data for $L$ up to 512. We find that the sub-leading logarithmic corrections have significant effects on the extrapolation. Our result $T_{rm BKT}=0.8935(1)$ is several error bars above the previously best estimates of the transition temperature; $T_{rm BKT} approx 0.8929$. If only the leading log-correction is used, the result is, however, consistent with the lower value, suggesting that previous works have underestimated $T_{rm BKT}$ because of neglect of sub-leading logarithms. Our method is easy to implement in practice and should be applicable to generic BKT transitions.
We study a two-orbital spin model to describe (pi,0) stripe antiferromagnetism in the iron pnictides. The double-spin model has an on-site Hundss coupling and inter-site interactions extending to second neighbors (inter- and intra-orbital) on the squ
are lattice. Using a variational method based on a cluster decomposition, we optimize wave functions with up to 8 cluster sites (up to 2^16 variational parameters). We focus on the anomalously small ordered moments in the stripe state of the pnictides. To account for it, and large variations among different compounds, we show that the second-neighbor cross-orbital exchange constant should be ferromagnetic, which leads to partially hidden stripe order, with a moment that can be varied over a large range by small changes in the coupling constants. In a different parameter region, we confirm the existence of a canted state previously found in spin-wave theory. We also identify several other phases of the model.
We propose a method to study dynamical response of a quantum system by evolving it with an imaginary-time dependent Hamiltonian. The leading non-adiabatic response of the system driven to a quantum-critical point is universal and characterized by the
same exponents in real and imaginary time. For a linear quench protocol, the fidelity susceptibility and the geometric tensor naturally emerge in the response functions. Beyond linear response, we extend the finite-size scaling theory of quantum phase transitions to non-equilibrium setups. This allows, e.g., for studies of quantum phase transitions in systems of fixed finite size by monitoring expectation values as a function of the quench velocity. Non-equilibrium imaginary-time dynamics is also amenable to quantum Monte Carlo (QMC) simulations, with a scheme that we introduce here and apply to quenches of the transverse-field Ising model to quantum-critical points in one and two dimensions. The QMC method is generic and can be applied to a wide range of models and non-equilibrium setups.
We show how efficient loop updates, originally developed for Monte Carlo simulations of quantum spin systems at finite temperature, can be combined with a ground-state projector scheme and variational calculations in the valence bond basis. The metho
ds are formulated in a combined space of spin z-components and valence bonds. Compared to schemes formulated purely in the valence bond basis, the computational effort is reduced from up to O(N^2) to O(N) for variational calculations, where N is the system size, and from O(m^2) to O(m) for projector simulations, where m>> N is the projection power. These improvements enable access to ground states of significantly larger lattices than previously. We demonstrate the efficiency of the approach by calculating the sublattice magnetization M_s of the two-dimensional Heisenberg model to high precision, using systems with up to 256*256 spins. Extrapolating the results to the thermodynamic limit gives M_s=0.30743(1). We also discuss optimized variational amplitude-product states, which were used as trial states in the projector simulations, and compare results of projecting different types of trial states.
We study two-dimensional Heisenberg antiferromagnets with additional multi-spin interactions which can drive the system into a valence-bond solid state. For standard SU(2) spins, we consider both four- and six-spin interactions. We find continuous qu
antum phase transitions with the same critical exponents. Extending the symmetry to SU(N), we also find continuous transitions for N=3 and 4. In addition, we also study quantitatively the cross-over of the order-parameter symmetry from Z4 deep inside the valence-bond-solid phase to U(1) as the phase transition is approached.
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 approac
h 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.
We discuss a projector Monte Carlo method for quantum spin models formulated in the valence bond basis, using the S=1/2 Heisenberg antiferromagnet as an example. Its singlet ground state can be projected out of an arbitrary basis state as the trial s
tate, but a more rapid convergence can be obtained using a good variational state. As an alternative to first carrying out a time consuming variational Monte Carlo calculation, we show that a very good trial state can be generated in an iterative fashion in the course of the simulation itself. We also show how the properties of the valence bond basis enable calculations of quantities that are difficult to obtain with the standard basis of Sz eigenstates. In particular, we discuss quantities involving finite-momentum states in the triplet sector, such as the dispersion relation and the spectral weight of the lowest triplet.
