Control of the finite size corrections in exact diagonalization studies

We study the possibility of controlling the finite size corrections in exact diagonalization studies quantitatively. We consider the one- and two dimensional Hubbard model. We show that the finite-size corrections can be be reduced systematically by a grand-canonical integration over boundary conditions. We find, in general, an improvement of one order of magnitude with respect to studies with periodic boundary conditions only. We present results for ground-state properties of the 2D Hubbard model and an evaluation of the specific heat for the 1D and 2D Hubbard model.Comment: Phys. Rev. B (Brief Report), in pres

A Monte Carlo Method for Fermion Systems Coupled with Classical Degrees of Freedom

A new Monte Carlo method is proposed for fermion systems interacting with classical degrees of freedom. To obtain a weight for each Monte Carlo sample with a fixed configuration of classical variables, the moment expansion of the density of states by Chebyshev polynomials is applied instead of the direct diagonalization of the fermion Hamiltonian. This reduces a cpu time to scale as $O(N_{\rm dim}^{2} \log N_{\rm dim})$ compared to $O(N_{\rm dim}^{3})$ for the diagonalization in the conventional technique; $N_{\rm dim}$ is the dimension of the Hamiltonian. Another advantage of this method is that parallel computation with high efficiency is possible. These significantly save total cpu times of Monte Carlo calculations because the calculation of a Monte Carlo weight is the bottleneck part. The method is applied to the double-exchange model as an example. The benchmark results show that it is possible to make a systematic investigation using a system-size scaling even in three dimensions within a realistic cpu timescale.Comment: 6 pages including 4 figure

Spin-excitation spectra and resistance minima in amorphous ferromagnetic alloys

Resistance minima have been found in recent years to occur in amorphous ferromagnetic alloys below the magnetic ordering temperature. Although a well-developed theory exists for resistance minima in very dilute alloys, the meaning of the phenomena has remained in question for alloys in which the neglect of spin-spin interactions is not justifiable. In this paper it is shown that the observation of resistance minima implies that these alloys have a finite density of near zero frequency excitations. Specifically, the theory of inverse transport coefficients, reformulated in terms of linear response, is used to derive a general expression for the resistivity due to the conduction-electron-spin interaction. Expanding perturbatively, the nth-order contribution is determined by an nth-order spin correlation function. To third order it is shown that the coefficient of the lnk T term responsible for the resistance anomaly according to the accepted Kondo theory receives contributions in the low-temperature limit only from those parts of the spin correlation functions which have frequencies less than k TK /ℏ where TK is the Kondo temperature

More than open space! the case for green infrastructure teaching in planning curricula

Since the mid-1990s, the concept of Green Infrastructure (GI) has been gaining traction in fields such as ecology and forestry, (landscape) architecture, environmental and hydrological engineering, public health as well as urban and regional planning. Definitions and aims ascribed to GI vary. Yet, agreement broadly exists on GI’s ability to contribute to sustainability by means of supporting, for example, biodiversity, human and animal health, and storm water management as well as mitigating urban heat island effects. Given an acknowledged role of planners in delivering sustainable cities and towns, professional bodies have highlighted the need for spatial planners to understand and implement GI. This raises questions of what sort of GI knowledge planners may require and moreover by whom and how GI knowledge and competencies may be conveyed? Examining knowledge and skills needs vis-à-vis GI education opportunities indicates a provision reliant primarily on continued professional education and limited ad hoc opportunities in Higher Education. The resulting knowledge base appears fragmented with limited theoretical foundations leading the authors to argue that a systematic inclusion of green infrastructure knowledges in initial planning education is needed to promote and aid effective GI implementation

Calculation of Densities of States and Spectral Functions by Chebyshev Recursion and Maximum Entropy

We present an efficient algorithm for calculating spectral properties of large sparse Hamiltonian matrices such as densities of states and spectral functions. The combination of Chebyshev recursion and maximum entropy achieves high energy resolution without significant roundoff error, machine precision or numerical instability limitations. If controlled statistical or systematic errors are acceptable, cpu and memory requirements scale linearly in the number of states. The inference of spectral properties from moments is much better conditioned for Chebyshev moments than for power moments. We adapt concepts from the kernel polynomial approximation, a linear Chebyshev approximation with optimized Gibbs damping, to control the accuracy of Fourier integrals of positive non-analytic functions. We compare the performance of kernel polynomial and maximum entropy algorithms for an electronic structure example.Comment: 8 pages RevTex, 3 postscript figure

Disaggregating Lone-actor Grievance-fuelled Violence: Comparing Lone-actor Terrorists and Mass Murderers

Research suggests that lone-actor terrorists and mass murderers may be better conceptualized as lone-actor grievance-fueled violence (LAGFV) offenders, rather than as distinct types. The present study sought to examine the extent to which these offenders could (or could not) be disaggregated along dimensions relevant to the threat assessment of both. Drawing on a Risk Analysis Framework (RAF), the offending process was theorized as interactions among propensity, situation, preparatory, leakage and network indicators. We analyzed a dataset of 183 U.S. offenders, including sixty-eight lone-actor terrorists and 115 solo mass murderers. Cluster analysis identified profiles within each of the components: propensity (stable, criminal, unstable), situation (low stress, high stress (social), high stress (interpersonal), preparatory (fixated, novel aggression, equipped, clandestine, predatory, preparatory), leakage (high leakage, low leakage), and network (lone, associated, connected). Bi-variate analysis examined the extent to which the profiles classified offenders previously labeled as lone-actor terrorists or mass murderers. The results suggest that while significant differences may exist at the periphery of these dimensions, offenders previously classified as lone-actor terrorists or mass murderers occupy a noteworthy shared space. Moreover, no profile classifies a single “type” of offender exclusively. Lastly, we propose a dynamic, interactional model of LAGFV and discuss the implications of these findings for the threat assessment and management of LAGFV offenders

Analysis of colorectal cancers in British Bangladeshi identifies early onset, frequent mucinous histotype and a high prevalence of RBFOX1 deletion

PMCID: PMC3544714This is an Open Access article distributed under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by/2.0), which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited

Chebyshev approach to quantum systems coupled to a bath

We propose a new concept for the dynamics of a quantum bath, the Chebyshev space, and a new method based on this concept, the Chebyshev space method. The Chebyshev space is an abstract vector space that exactly represents the fermionic or bosonic bath degrees of freedom, without a discretization of the bath density of states. Relying on Chebyshev expansions the Chebyshev space representation of a bath has very favorable properties with respect to extremely precise and efficient calculations of groundstate properties, static and dynamical correlations, and time-evolution for a great variety of quantum systems. The aim of the present work is to introduce the Chebyshev space in detail and to demonstrate the capabilities of the Chebyshev space method. Although the central idea is derived in full generality the focus is on model systems coupled to fermionic baths. In particular we address quantum impurity problems, such as an impurity in a host or a bosonic impurity with a static barrier, and the motion of a wave packet on a chain coupled to leads. For the bosonic impurity, the phase transition from a delocalized electron to a localized polaron in arbitrary dimension is detected. For the wave packet on a chain, we show how the Chebyshev space method implements different boundary conditions, including transparent boundary conditions replacing infinite leads. Furthermore the self-consistent solution of the Holstein model in infinite dimension is calculated. With the examples we demonstrate how highly accurate results for system energies, correlation and spectral functions, and time-dependence of observables are obtained with modest computational effort.Comment: 18 pages, 13 figures, to appear in Phys. Rev.

Fast algorithm for calculating two-photon absorption spectra

We report a numerical calculation of the two-photon absorption coefficient of electrons in a binding potential using the real-time real-space higher-order difference method. By introducing random vector averaging for the intermediate state, the task of evaluating the two-dimensional time integral is reduced to calculating two one-dimensional integrals. This allows the reduction of the computation load down to the same order as that for the linear response function. The relative advantage of the method compared to the straightforward multi-dimensional time integration is greater for the calculation of non-linear response functions of higher order at higher energy resolution.Comment: 4 pages, 2 figures. It will be published in Phys. Rev. E on 1, March, 199

Description of recent large-qq neutron inclusive scattering data from liquid 4^4He

We report dynamical calculations for large-$q$ structure functions of liquid $^4$He at $T$=1.6 and 2.3 K and compare those with recent MARI data. We extend those calculations far beyond the experimental range q\le 29\Ain in order to study the approach of the response to its asymptotic limit for a system with interactions having a strong short-range repulsion. We find only small deviations from theoretical $1/q$ behavior, valid for smooth $V$. We repeat an extraction by Glyde et al of cumulant coefficients from data. We argue that fits determine the single atom momentum distribution, but express doubt as to the extraction of meaningful Final State Interaction parameters.Comment: 37 pages, 13 postscript fig