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Analyzing in detail the first corrections to the scaling hypothesis, we develop accelerated methods for the determination of critical points from finite size data. The output of these procedures are sequences of pseudo-critical points which rapidly c onverge towards the true critical points. In fact more rapidly than previously existing methods like the Phenomenological Renormalization Group approach. Our methods are valid in any spatial dimensionality and both for quantum or classical statistical systems. Having at disposal fast converging sequences, allows to draw conclusions on the basis of shorter system sizes, and can be extremely important in particularly hard cases like two-dimensional quantum systems with frustrations or when the sign problem occurs. We test the effectiveness of our methods both analytically on the basis of the one-dimensional XY model, and numerically at phase transitions occurring in non integrable spin models. In particular, we show how a new Homogeneity Condition Method is able to locate the onset of the Berezinskii-Kosterlitz-Thouless transition making only use of ground-state quantities on relatively small systems.
We observe the effect of non-zero magnetization m onto the superconducting ground state of the one dimensional repulsive Hubbard model with correlated hopping X. For t/2 < X < 2t/3, the system first manifests Fulde-Ferrell-Larkin-Ovchinnikov (FFLO) o scillations in the pair-pair correlations. For m = m1 a kinetic energy driven macroscopic phase separation into low-density superconducting domains and high-density polarized walls takes place. For m > m2 the domains fully localize, and the system eventually becomes a ferrimagnetic insulator.
We present a comparison between Fe K-edge x-ray absorption spectra of carbonmonoxy-myoglobin and its simulation based on density-functional theory determination of the structure and vibrations and spectral simulation with multiple-scattering theory. An excellent comparison is obtained for the main part of the molecular structure without any structural fitting parameters. The geometry of the CO ligand is reliably determined using a synergic approach to data analysis. The methodology underlying this approach is expected to be especially useful in similar situations in which high-resolution data for structure and vibrations are available.
We derive the dominant contribution to the large-distance decay of correlation functions for a spin chain model that exhibits both Haldane and Neel phases in its ground state phase diagram. The analytic results are obtained by means of an approximate mapping between a spin-1 anisotropic Hamiltonian onto a fermionic model of noninteracting Bogolioubov quasiparticles related in turn to the XY spin-1/2 chain in a transverse field. This approach allows us to express the spin-1 string operators in terms of fermionic operators so that the dominant contribution to the string correlators at large distances can be computed using the technique of Toeplitz determinants. As expected, we find long-range string order both in the longitudinal and in the transverse channel in the Haldane phase, while in the Neel phase only the longitudinal order survives. In this way, the long-range string order can be explicitly related to the components of the magnetization of the XY model. Moreover, apart from the critical line, where the decay is algebraic, we find that in the gapped phases the decay is governed by an exponential tail multiplied by algebraic factors. As regards the usual two points correlation functions, we show that the longitudinal one behaves in a dual fashion with respect to the transverse string correlator, namely both the asymptotic values and the decay laws exchange when the transition line is crossed. For the transverse spin-spin correlator, we find a finite characteristic length which is an unexpected feature at the critical point. We also comment briefly the entanglement features of the original system versus those of the effective model. The goodness of the approximation and the analytical predictions are checked versus density-matrix renormalization group calculations.
We analyze in detail, beyond the usual scaling hypothesis, the finite-size convergence of static quantities toward the thermodynamic limit. In this way we are able to obtain sequences of pseudo-critical points which display a faster convergence rate as compared to currently used methods. The approaches are valid in any spatial dimension and for any value of the dynamic exponent. We demonstrate the effectiveness of our methods both analytically on the basis of the one dimensional XY model, and numerically considering c = 1 transitions occurring in non integrable spin models. In particular, we show that these general methods are able to locate precisely the onset of the Berezinskii-Kosterlitz-Thouless transition making only use of ground-state properties on relatively small systems.
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