The sign problem in Monte Carlo simulations of frustrated quantum spin systems

We discuss the sign problem arising in Monte Carlo simulations of frustrated quantum spin systems. We show that for a class of ``semi-frustrated'' systems (Heisenberg models with ferromagnetic couplings $J_z(r) < 0$ along the $z$-axis and antiferromagnetic couplings $J_{xy}(r)=-J_z(r)$ in the $xy$-plane, for arbitrary distances $r$) the sign problem present for algorithms operating in the $z$-basis can be solved within a recent ``operator-loop'' formulation of the stochastic series expansion method (a cluster algorithm for sampling the diagonal matrix elements of the power series expansion of ${\rm exp}(-\beta H)$ to all orders). The solution relies on identification of operator-loops which change the configuration sign when updated (``merons'') and is similar to the meron-cluster algorithm recently proposed by Chandrasekharan and Wiese for solving the sign problem for a class of fermion models (Phys. Rev. Lett. {\bf 83}, 3116 (1999)). Some important expectation values, e.g., the internal energy, can be evaluated in the subspace with no merons, where the weight function is positive definite. Calculations of other expectation values require sampling of configurations with only a small number of merons (typically zero or two), with an accompanying sign problem which is not serious. We also discuss problems which arise in applying the meron concept to more general quantum spin models with frustrated interactions.Comment: 13 pages, 16 figure

Accessing the dynamics of large many-particle systems using Stochastic Series Expansion

The Stochastic Series Expansion method (SSE) is a Quantum Monte Carlo (QMC) technique working directly in the imaginary time continuum and thus avoiding "Trotter discretization" errors. Using a non-local "operator-loop update" it allows treating large quantum mechanical systems of many thousand sites. In this paper we first give a comprehensive review on SSE and present benchmark calculations of SSE's scaling behavior with system size and inverse temperature, and compare it to the loop algorithm, whose scaling is known to be one of the best of all QMC methods. Finally we introduce a new and efficient algorithm to measure Green's functions and thus dynamical properties within SSE.Comment: 11 RevTeX pages including 7 figures and 5 table

Critical temperature and the transition from quantum to classical order parameter fluctuations in the three-dimensional Heisenberg antiferromagnet

We present results of extensive quantum Monte Carlo simulations of the three-dimensional (3D) S=1/2 Heisenberg antiferromagnet. Finite-size scaling of the spin stiffness and the sublattice magnetization gives the critical temperature Tc/J = 0.946 +/- 0.001. The critical behavior is consistent with the classical 3D Heisenberg universality class, as expected. We discuss the general nature of the transition from quantum mechanical to classical (thermal) order parameter fluctuations at a continuous Tc > 0 phase transition.Comment: 5 pages, Revtex, 4 PostScript figures include

Comment on ``Ground State Phase Diagram of a Half-Filled One-Dimensional Extended Hubbard Model''

In Phys. Rev. Lett. 89, 236401 (2002), Jeckelmann argued that the recently discovered bond-order-wave (BOW) phase of the 1D extended Hubbard model does not have a finite extent in the (U,V) plane, but exists only on a segment of a first-order SDW-CDW phase boundary. We here present quantum Monte Carlo result of higher precision and for larger system sizes than previously and reconfirm that the BOW phase does exist a finite distance away from the phase boundary, which hence is a BOW-CDW transition curve.Comment: 1 page, 1 figure, v2: final published versio

Monte Carlo study of a two-dimensional quantum ferromagnet

We present quantum Monte Carlo results for the field and temperature dependence of the magnetization and the spin-lattice relaxation rate $1/T_1$ of a two-dimensional $S=1/2$ quantum Heisenberg ferromagnet. The Monte Carlo method, which yields results free of systematic errors, is described in detail. The high accuracy of the calculated magnetization allows for stringent tests of recent approximate analytical calculations. We also compare our results with recent experimental data for a $\nu=1$ quantum Hall ferromagnet, which is expected to be well described by the Heisenberg model. The dynamic response function needed to extract $1/T_1$ is obtained using maximum-entropy analytic continuation of the corresponding imaginary-time dependent correlation function. We discuss the reliability of this approach.Comment: 13 pages, 11 figure

Susceptibility of the 2D S=1/2 Heisenberg antiferromagnet with an impurity

We use a quantum Monte Carlo method (stochastic series expansion) to study the effects of a magnetic or nonmagnetic impurity on the magnetic susceptibility of the two-dimensional Heisenberg antiferromagnet. At low temperatures, we find a log-divergent contribution to the transverse susceptibility. We also introduce an effective few-spin model that can quantitatively capture the differences between magnetic and nonmagnetic impurities at high and intermediate temperatures.Comment: 5 pages, 4 figures, v2: Updated data in figures, minor changes in text, v3: Final version, cosmetic change

Pseudoparticle Description of the 1D Hubbard Model Electronic Transport Properties

We extend the pseudoparticle transport description of the Hubbard chain to all energy scales. In particular we compute the mean value of the electric current transported by any Bethe-ansatz state and the transport masses of the charge carriers. We present numerical results for the optical conductivity of the model at half-filling for values of U/t=3 and 4. We show that these are in good agreement with the pseudoparticle description of the finite-energy transitions involving new pseudoparticle energy bands.Comment: 4 pages, RevTex, one figure (can be obtained upon request from [email protected]). To apper in the Proceedings of the Euroconference on "Correlations in Unconventional Quantum Liquids" in Zeitschrift f\"ur Physik B- Condensed Matter (Dedicated to the memory of Sir Rudolph Peierls

Effects of simulated environmental changes on growth and growth form in a late snowbed population of pohlia wahlenbergii (Web. et Mohr) Andr

In a factorial field experiment we increased the temperature (OpenTop Chambers) and nutrients (nitrogen, phosphorus, and potassium[NPK]) to simulate predicted future climate changes and studiedthe growth response of the acrocarpous bryophyte Pohliawahlenbergii (Bryaceae) in a wet snowbed environment. The speciesshows a positive growth-length response to added nutrients andincreased temperature. The stronger response to nutrientsindicates a strong limitation of nutrients in the snowbedenvironment. There was an immediate response to nutrienttreatment, whereas the temperature response was delayed. Thegrowth response shows a clear interaction between temperature andnutrients. The immediate positive growth response is interpretedas a function of the wet habitat, since water makes the addednutrients immediately available to the plants. The growth formchanged toward a more lax (loose) and desiccation-intolerant formwith added nutrients. In a climate change scenario based on theseresults we hypothesize that bryophyte response will depend on thewater availability from precipitation and from meltwater. In adrier environment we predict that bryophytes will become moreconstrained toward areas with a high continuity of meltwater,whereas increased precipitation may compensate for any changes ingrowth form, which would be positive for bryophytes

Time of flight observables and the formation of Mott domains of fermions and bosons on optical lattices

We study, using quantum Monte Carlo simulations, the energetics of the formation of Mott domains of fermions and bosons trapped on one-dimensional lattices. We show that, in both cases, the sum of kinetic and interaction energies exhibits minima when Mott domains appear in the trap. In addition, we examine the derivatives of the kinetic and interaction energies, and of their sum, which display clear signatures of the Mott transition. We discuss the relevance of these findings to time-of-flight experiments that could allow the detection of the metal--Mott-insulator transition in confined fermions on optical lattices, and support established results on the superfluid--Mott-insulator transition in confined bosons on optical lattices.Comment: 5 pages, 6 figures, published versio