966 resultados para Monte-carlo Calculations
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This paper presents semiparametric estimators for treatment effects parameters when selection to treatment is based on observable characteristics. The parameters of interest in this paper are those that capture summarized distributional effects of the treatment. In particular, the focus is on the impact of the treatment calculated by differences in inequality measures of the potential outcomes of receiving and not receiving the treatment. These differences are called here inequality treatment effects. The estimation procedure involves a first non-parametric step in which the probability of receiving treatment given covariates, the propensity-score, is estimated. Using the reweighting method to estimate parameters of the marginal distribution of potential outcomes, in the second step weighted sample versions of inequality measures are.computed. Calculations of semiparametric effciency bounds for inequality treatment effects parameters are presented. Root-N consistency, asymptotic normality, and the achievement of the semiparametric efficiency bound are shown for the semiparametric estimators proposed. A Monte Carlo exercise is performed to investigate the behavior in finite samples of the estimator derived in the paper.
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High-precision calculations of the correlation functions and order parameters were performed in order to investigate the critical properties of several two-dimensional ferro- magnetic systems: (i) the q-state Potts model; (ii) the Ashkin-Teller isotropic model; (iii) the spin-1 Ising model. We deduced exact relations connecting specific damages (the difference between two microscopic configurations of a model) and the above mentioned thermodynamic quanti- ties which permit its numerical calculation, by computer simulation and using any ergodic dynamics. The results obtained (critical temperature and exponents) reproduced all the known values, with an agreement up to several significant figures; of particular relevance were the estimates along the Baxter critical line (Ashkin-Teller model) where the exponents have a continuous variation. We also showed that this approach is less sensitive to the finite-size effects than the standard Monte-Carlo method. This analysis shows that the present approach produces equal or more accurate results, as compared to the usual Monte Carlo simulation, and can be useful to investigate these models in circumstances for which their behavior is not yet fully understood
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Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)
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Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)
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Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)
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Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)
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In certain Mott-insulating dimerized antiferromagnets, triplet excitations of the paramagnetic phase display both three-particle and four-particle interactions. When such a magnet undergoes a quantum phase transition into a magnetically ordered state, the three-particle interaction becomes part of the critical theory provided that the lattice ordering wave vector is zero. One microscopic example is the staggered-dimer antiferromagnet on the square lattice, for which deviations from O(3) universality have been reported in numerical studies. Using both symmetry arguments and microscopic calculations, we show that a nontrivial cubic term arises in the relevant order-parameter quantum field theory, and we assess its consequences using a combination of analytical and numerical methods. We also present finite-temperature quantum Monte Carlo data for the staggered-dimer antiferromagnet which complement recently published results. The data can be consistently interpreted in terms of critical exponents identical to that of the standard O(3) universality class, but with anomalously large corrections to scaling. We argue that the cubic interaction of critical triplons, although irrelevant in two spatial dimensions, is responsible for the leading corrections to scaling due to its small scaling dimension.
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The inclusive production cross sections for forward jets, as well for jets in dijet events with at least one jet emitted at central and the other at forward pseudorapidities, are measured in the range of transverse momenta p(T) = 35-150 GeV/c in proton-proton collisions at root s = 7 TeV by the CMS experiment at the LHC. Forward jets are measured within pseudorapidities 3.2<|eta|<4.7, and central jets within the |eta|<2.8 range. The double differential cross sections with respect to pt and eta are compared to predictions from three approaches in perturbative quantum chromodynamics: (i) next-to-leading-order calculations obtained with and without matching to parton-shower Monte Carlo simulations, (ii) PYTHIA and HERWIG parton-shower event generators with different tunes of parameters, and (iii) CASCADE and HEJ models, including different non-collinear corrections to standard single-parton radiation. The single-jet inclusive forward jet spectrum is well described by all models, but not all predictions are consistent with the spectra observed for the forward-central dijet events.
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The code STATFLUX, implementing a new and simple statistical procedure for the calculation of transfer coefficients in radionuclide transport to animals and plants, is proposed. The method is based on the general multiple-compartment model, which uses a system of linear equations involving geometrical volume considerations. Flow parameters were estimated by employing two different least-squares procedures: Derivative and Gauss-Marquardt methods, with the available experimental data of radionuclide concentrations as the input functions of time. The solution of the inverse problem, which relates a given set of flow parameter with the time evolution of concentration functions, is achieved via a Monte Carlo Simulation procedure.Program summaryTitle of program: STATFLUXCatalogue identifier: ADYS_v1_0Program summary URL: http://cpc.cs.qub.ac.uk/summaries/ADYS_v1_0Program obtainable from: CPC Program Library, Queen's University of Belfast, N. IrelandLicensing provisions: noneComputer for which the program is designed and others on which it has been tested: Micro-computer with Intel Pentium III, 3.0 GHzInstallation: Laboratory of Linear Accelerator, Department of Experimental Physics, University of São Paulo, BrazilOperating system: Windows 2000 and Windows XPProgramming language used: Fortran-77 as implemented in Microsoft Fortran 4.0. NOTE: Microsoft Fortran includes non-standard features which are used in this program. Standard Fortran compilers such as, g77, f77, ifort and NAG95, are not able to compile the code and therefore it has not been possible for the CPC Program Library to test the program.Memory, required to execute with typical data: 8 Mbytes of RAM memory and 100 MB of Hard disk memoryNo. of bits in a word: 16No. of lines in distributed program, including test data, etc.: 6912No. of bytes in distributed Program, including test data, etc.: 229 541Distribution format: tar.gzNature of the physical problem: the investigation of transport mechanisms for radioactive substances, through environmental pathways, is very important for radiological protection of populations. One such pathway, associated with the food chain, is the grass-animal-man sequence. The distribution of trace elements in humans and laboratory animals has been intensively studied over the past 60 years [R.C. Pendlenton, C.W. Mays, R.D. Lloyd, A.L. Brooks, Differential accumulation of iodine-131 from local fallout in people and milk, Health Phys. 9 (1963) 1253-1262]. In addition, investigations on the incidence of cancer in humans, and a possible causal relationship to radioactive fallout, have been undertaken [E.S. Weiss, M.L. Rallison, W.T. London, W.T. Carlyle Thompson, Thyroid nodularity in southwestern Utah school children exposed to fallout radiation, Amer. J. Public Health 61 (1971) 241-249; M.L. Rallison, B.M. Dobyns, F.R. Keating, J.E. Rall, F.H. Tyler, Thyroid diseases in children, Amer. J. Med. 56 (1974) 457-463; J.L. Lyon, M.R. Klauber, J.W. Gardner, K.S. Udall, Childhood leukemia associated with fallout from nuclear testing, N. Engl. J. Med. 300 (1979) 397-402]. From the pathways of entry of radionuclides in the human (or animal) body, ingestion is the most important because it is closely related to life-long alimentary (or dietary) habits. Those radionuclides which are able to enter the living cells by either metabolic or other processes give rise to localized doses which can be very high. The evaluation of these internally localized doses is of paramount importance for the assessment of radiobiological risks and radiological protection. The time behavior of trace concentration in organs is the principal input for prediction of internal doses after acute or chronic exposure. The General Multiple-Compartment Model (GMCM) is the powerful and more accepted method for biokinetical studies, which allows the calculation of concentration of trace elements in organs as a function of time, when the flow parameters of the model are known. However, few biokinetics data exist in the literature, and the determination of flow and transfer parameters by statistical fitting for each system is an open problem.Restriction on the complexity of the problem: This version of the code works with the constant volume approximation, which is valid for many situations where the biological half-live of a trace is lower than the volume rise time. Another restriction is related to the central flux model. The model considered in the code assumes that exist one central compartment (e.g., blood), that connect the flow with all compartments, and the flow between other compartments is not included.Typical running time: Depends on the choice for calculations. Using the Derivative Method the time is very short (a few minutes) for any number of compartments considered. When the Gauss-Marquardt iterative method is used the calculation time can be approximately 5-6 hours when similar to 15 compartments are considered. (C) 2006 Elsevier B.V. All rights reserved.
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The main properties of realistic models for manganites are studied using analytic mean-field approximations and computational numerical methods, focusing on the two-orbital model with electrons interacting through Jahn-Teller (JT) phonons and/or Coulombic repulsions. Analyzing the model including both interactions by the combination of the mean-field approximation and the exact diagonalization method, it is argued that the spin-charge-orbital structure in the insulating phase of the purely JT-phononic model with a large Hund couphng J(H) is not qualitatively changed by the inclusion of the Coulomb interactions. As an important application of the present mean-held approximation, the CE-type antiferromagnetic state, the charge-stacked structure along the z axis, and (3x(2) - r(2))/(3y(2) - r(2))-type orbital ordering are successfully reproduced based on the JT-phononic model with large JH for the half-doped manganite, in agreement with recent Monte Carlo simulation results. Topological arguments and the relevance of the Heisenberg exchange among localized t(2g) spins explains why the inclusion of the nearest-neighbor Coulomb interaction does not destroy the charge stacking structure. It is also verified that the phase-separation tendency is observed both in purely JT-phononic (large JH) and purely Coulombic models in the vicinity of the hole undoped region, as long as realistic hopping matrices are used. This highlights the qualitative similarities of both approaches and the relevance of mixed-phase tendencies in the context of manganites. In addition, the rich and complex phase diagram of the two-orbital Coulombic model in one dimension is presented. Our results provide robust evidence that Coulombic and JT-phononic approaches to manganites are not qualitatively different ways to carry out theoretical calculations, but they share a variety of common features.
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The pCT deals with relatively thick targets like the human head or trunk. Thus, the fidelity of pCT as a tool for proton therapy planning depends on the accuracy of physical formulas used for proton interaction with thick absorbers. Although the actual overall accuracy of the proton stopping power in the Bethe-Bloch domain is about 1%, the analytical calculations and the Monte Carlo simulations with codes like TRIM/SRIM, MCNPX and GEANT4 do not agreed with each other. A tentative to validate the codes against experimental data for thick absorbers bring some difficulties: only a few data is available and the existing data sets have been acquired at different initial proton energies, and for different absorber materials. In this work we compare the results of our Monte Carlo simulations with existing experimental data in terms of reduced calibration curve, i.e. the range - energy dependence normalized on the range scale by the full projected CSDA range for given initial proton energy in a given material, taken from the NIST PSTAR database, and on the final proton energy scale - by the given initial energy of protons. This approach is almost energy and material independent. The results of our analysis are important for pCT development because the contradictions observed at arbitrary low initial proton energies could be easily scaled now to typical pCT energies. © 2010 American Institute of Physics.
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Neste trabalho, nós usamos uma combinação da simulação Monte Carlo e o modelo quântico INDO/S-CI para investigar os efeitos de solvente nos espectros de absorção eletrônica dos flavonols quercetina e kaempferol solvatados em metanol. O estudo foi conduzido realizando cálculos ao nível de INDO/S-CI em várias configurações estatisticamente relevantes produzidas pela simulação Monte Carlo. Usando a função de autocorrelação da energia, nós reduzimos de forma segura o número necessário de cálculos quânticos a serem realizados para se obter o valor médio da energia de transição π --- π* da quercetina e kaempferol em metanol usando diferentes camadas de solvatação. Além disso, uma cuidadosa investigação das pontes de hidrogênio formadas no curso da simulação Monte Carlo foi realizada. Como poderá ser notado mais adiante, nossos resultados estão de muito bom acordo com os resultados experimentais disponíveis.
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Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)
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Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)
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Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)