Master equation approach to computing RVB bond amplitudes

We describe a "master equation" analysis for the bond amplitudes h(r) of an RVB wavefunction. Starting from any initial guess, h(r) evolves (in a manner dictated by the spin hamiltonian under consideration) toward a steady-state distribution representing an approximation to the true ground state. Unknown transition coefficients in the master equation are treated as variational parameters. We illustrate the method by applying it to the J1-J2 antiferromagnetic Heisenberg model. Without frustration (J2=0), the amplitudes are radially symmetric and fall off as 1/r^3 in the bond length. As the frustration increases, there are precursor signs of columnar or plaquette VBS order: the bonds preferentially align along the axes of the square lattice and weight accrues in the nearest-neighbour bond amplitudes. The Marshall sign rule holds over a large range of couplings, J2/J1 < 0.418. It fails when the r=(2,1) bond amplitude first goes negative, a point also marked by a cusp in the ground state energy. A nonrigourous extrapolation of the staggered magnetic moment (through this point of nonanalyticity) shows it vanishing continuously at a critical value J2/J1 = 0.447. This may be preempted by a first-order transition to a state of broken translational symmetry.Comment: 8 pages, 7 figure

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

Two-Dimensional Quantum XY Model with Ring Exchange and External Field

We present the zero-temperature phase diagram of a square lattice quantum spin 1/2 XY model with four-site ring exchange in a uniform external magnetic field. Using quantum Monte Carlo techniques, we identify various quantum phase transitions between the XY-order, striped or valence bond solid, staggered Neel antiferromagnet and fully polarized ground states of the model. We find no evidence for a quantum spin liquid phase.Comment: 4 pages, 4 figure

Double-layer Heisenberg antiferromagnet at finite temperature: Brueckner Theory and Quantum Monte Carlo simulations

The double-layer Heisenberg antiferromagnet with intra- and inter-layer couplings $J$ and $J_\perp$ exhibits a zero temperature quantum phase transition between a quantum disordered dimer phase for $g>g_c$ and a Neel phase with long range antiferromagnetic order for $g<g_c$, where $g=J_\perp/J$ and $g_c \approx 2.5$. We consider the behavior of the system at finite temperature for $g \ge g_c$ using two different and complementary approaches; an analytical Brueckner approximation and numerically exact quantum Monte Carlo simulations. We calculate the temperature dependent spin excitation spectrum (including the triplet gap), dynamic and static structure factors, the specific heat, and the uniform magnetic susceptibility. The agreement between the analytical and numerical approaches is excellent. For $T \to 0$ and $g \to g_c$, our analytical results for the specific heat and the magnetic susceptibility coincide with those previously obtained within the nonlinear $\sigma$ model approach for $N\to \infty$. Our quantum Monte Carlo simulations extend to significantly lower temperatures than previously, allowing us to obtain accurate results for the asymptotic quantum critical behavior. We also obtain an improved estimate for the critical coupling: $g_c = 2.525 \pm 0.002$.Comment: 23 pages, 12 figure

Effects of intrabilayer coupling on the magnetic properties of YBa2_2Cu3_3O6_6

A two-layer Heisenberg antiferromagnet is studied as a model of the bilayer cuprate YBa$_2$Cu$_3$O$_6$. Quantum Monte Carlo results are presented for the temperature dependence of the spin correlation length, the static structure factor, the magnetic susceptibility, and the $^{63}$Cu NMR spin-echo decay rate $1/T_{2G}$. As expected, when the ratio $J_2/J_1$ of the intrabilayer and in-plane coupling strengths is small, increasing $J_2$ pushes the system deeper inside the renormalized classical regime. Even for $J_2/J_1$ as small as $0.1$ the correlations are considerably enhanced at temperatures as high as $T/J_1 \approx 0.4-0.5$. This has a significant effect on $1/T_{2G}$, and it is suggested that measurements of this quantity at high temperatures can reveal the strength of the intrabilayer coupling in YBa$_2$Cu$_3$O$_6$.Comment: 10 pages (Revtex) + 5 uuencoded ps figures. To appear in Phys. Rev. B, Rapid Com

Finite-Size Scaling of the Ground State Parameters of the Two-Dimensional Heisenberg Model

The ground state parameters of the two-dimensional S=1/2 antiferromagnetic Heisenberg model are calculated using the Stochastic Series Expansion quantum Monte Carlo method for L*L lattices with L up to 16. The finite-size results for the energy E, the sublattice magnetization M, the long-wavelength susceptibility chi_perp(q=2*pi/L), and the spin stiffness rho_s, are extrapolated to the thermodynamic limit using fits to polynomials in 1/L, constrained by scaling forms previously obtained from renormalization group calculations for the nonlinear sigma model and chiral perturbation theory. The results are fully consistent with the predicted leading finite-size corrections and are of sufficient accuracy for extracting also subleading terms. The subleading energy correction (proportional to 1/L^4) agrees with chiral perturbation theory to within a statistical error of a few percent, thus providing the first numerical confirmation of the finite-size scaling forms to this order. The extrapolated ground state energy per spin, E=-0.669437(5), is the most accurate estimate reported to date. The most accurate Green's function Monte Carlo (GFMC) result is slightly higher than this value, most likely due to a small systematic error originating from ``population control'' bias in GFMC. The other extrapolated parameters are M=0.3070(3), rho_s = 0.175(2), chi_perp = 0.0625(9), and the spinwave velocity c=1.673(7). The statistical errors are comparable with those of the best previous estimates, obtained by fitting loop algorithm quantum Monte Carlo data to finite-temperature scaling forms. Both M and rho_s obtained from the finite-T data are, however, a few error bars higher than the present estimates. It is argued that the T=0 extrapolations performed here are less sensitive to effects of neglectedComment: 16 pages, RevTex, 9 PostScript figure

Ground state parameters, finite-size scaling, and low-temperature properties of the two-dimensional S=1/2 XY model

We present high-precision quantum Monte Carlo results for the S=1/2 XY model on a two-dimensional square lattice, in the ground state as well as at finite temperature. The energy, the spin stiffness, the magnetization, and the susceptibility are calculated and extrapolated to the thermodynamic limit. For the ground state, we test a variety of finite-size scaling predictions of effective Lagrangian theory and find good agreement and consistency between the finite-size corrections for different quantities. The low-temperature behavior of the susceptibility and the internal energy is also in good agreement with theoretical predictions.Comment: 6 pages, 8 figure

Dark matter to dark energy transition in k-essence cosmologies

We implement the transition from dark matter to dark energy in k-essence cosmologies for a very large set of kinetic functions $F$, in a way alternative to recent proposals which use generalized Chaplygin gas and transient models. Here we require that the pressure admits a power-law expansion around some value of the kinetic energy where the pressure vanishes. In addition, for suitable values of the parameters of the model, the speed of sound of the dark matter will be low. We first present the discussion in fairly general terms, and later consider for illustration two examples.Comment: 5 pages, revte

Measurement properties of the high-level mobility assessment tool for mild traumatic brain injury

Background. The High-Level Mobility Assessment Tool (HiMAT) was developed to quantify balance and mobility problems after traumatic brain injury (TBI). Measurement properties of the HiMAT have not been tested in the mild TBI (MTBI) population. Objective. The aim of this study was to examine the reliability, validity, and responsiveness of the HiMAT in a sample of the MTBI population. Design. A cohort, pretest-posttest, comparison study was conducted. Methods. Ninety-two patients (69% men, 31% women) with a mean age of 37.1 years (SD 13.8) and a mean Glasgow Coma Scale score of 14.7 (SD 0.7) were recruited from Oslo University Hospital. All patients were tested with the HiMAT (range of scores 0 [worst] to 54 [best]) at 3 months postinjury. Fifty-one patients were retested at 6 months. A subgroup of 25 patients was selected for the reliability testing. Balance function reported on the Rivermead Post Concussion Symptoms Questionnaire was chosen as a criterion and anchor. Criterion-related validity was studied with correlation analysis. Intraclass correlation coefficients (ICCs) were used for assessing interrater and intrarater reliability. Minimal detectable change (MDC) for the HiMAT was estimated. Responsiveness was assessed with receiver operating characteristic curve analyses. Results. The mean HiMAT sum score was 46.2 (95% confidence interval 44.4 to 48.1). The HiMAT had a ceiling effect of 22.8%. The correlation between HiMAT scores and self-reported balance problems was large (r .63, P .001). Interrater and intrarater reliability of the HiMAT sum score was high (interrater ICC .99, intrarater ICC .95). The MDC was 3 to 4 points. Responsiveness was good, and the HiMAT discriminated well between patients with self-perceived improved balance function versus unchanged balance function (area under the curve 0.86). Limitations. The small sample size, a ceiling effect, and lack of a gold standard were limitations of the study. Conclusions. The HiMAT demonstrated satisfactory measurement properties for patients with MTBI. The HiMAT can be used as an outcome measure of balance and mobility problems in patients with MTB