SUPERSYMMETRY, VARIATIONAL METHOD AND HULTHEN POTENTIAL

The formalism of supersymmetric quantum mechanics provides us with the eigenfunctions to be used in the variational method to obtain the eigenvalues for the Hulthen potential.

Solving Schrödinger equation for two dimensional potential using supersymmetry

The formalism of supersymmetric Quantum Mechanics can be extended to arbitrary dimensions. We introduce this formalism and explore its utility to solve the Schodinger equation for a bidimensional potential. This potential can be applied in several systens in physical and chemistry context, for instance, it can be used to study benzene molecule.

Chromophore relaxation in a side-chain methacrylate copolymer functionalized with 4-[N-ethyl-N-(2-hydroxyethyl)]amino-2 '-chloro-4 '-nitroazobenzene

A side-chain methacrylate copolymer functionalized with the nonlinear optical chromophore 4-[N-ethyl-N-(2-hydroxyethyl)]amino-2'-chloro-4'-nitroazobenzene, disperse red-13, was prepared and characterized. The chromophore relaxation was investigated measuring the decay of the electrooptic coefficient r(13) and the complex dielectric constant at different temperatures. Results obtained below and above T-g were analyzed using the Kohlrausch-Williams-Watts(KWW) equation, through the study of the temperature dependence of the KWW parameters. Above T-g the relaxation time experimental data were fitted to the Williams-Landel-Ferry (WLF) equation and its parameters determined. Chromophore relaxation leading to the decrease of electrooptic properties was found associated with a primary alpha relaxation. The obtained WLF equation parameters were introduced into the Adam-Gibbs-Tool-Narayanaswamy-Moynihan equation, and the overall relaxation time temperature dependence was successfully obtained in terms of the fictive temperature, accounting for the sample thermal treatment and allowing optimized thermal treatment to be found. The copolymer KWW stretching parameter at the glass transition temperature lies close to the limit value for short-range interactions, i.e., 0.6, suggesting that the chromophore group is participating in primary a relaxation.

DFT study on the water-assisted mechanism for the reaction between VO+ and NH3 to yield VNH+ and H2O

On the basis of DFT calculations, an understanding on the catalytic effect of water in the dehydration reaction between VO+ and NH3 to yield VNH+ and H2O has been obtained. The Gibbs free energy profiles point out that the global process involves two consecutive hydrogen shifts from the nitrogen to the oxygen atom. The catalytic role is achieved by a water assisted mechanism in which water acts as proton donor and acceptor, via transition structures corresponding to a six-membered rings. The corresponding stationary points lie below both the entrance VO+ + NH3, and VNH+ + H2O, channels. (c) 2006 Elsevier B... All rights reserved.

Toda lattice realization of integrable hierarchies

We present a new realization of scalar integrable hierarchies in terms of the Toda lattice hierarchy. In other words, we show on a large number of examples that an integrable hierarchy, defined by a pseudo-differential Lax operator, can be embedded in the Toda lattice hierarchy. Such a realization in terms the Toda lattice hierarchy seems to be as general as the Drinfeld-Sokolov realization.

Barrier penetration for supersymmetric shape-invariant potentials

Exact reflection and transmission coefficients for supersymmetric shape-invariant potentials barriers are calculated by an analytical continuation of the asymptotic wavefunctions obtained via the introduction of new generalized ladder operators. The general form of the wavefunction is obtained by the use of the F(-infinity, +infinity)-matrix formalism of Froman and Froman which is related to the evolution of asymptotic wavefunction coefficients.

Bayesian longitudinal data analysis with mixed models and thick-tailed distributions using MCMC

Linear mixed effects models are frequently used to analyse longitudinal data, due to their flexibility in modelling the covariance structure between and within observations. Further, it is easy to deal with unbalanced data, either with respect to the number of observations per subject or per time period, and with varying time intervals between observations. In most applications of mixed models to biological sciences, a normal distribution is assumed both for the random effects and for the residuals. This, however, makes inferences vulnerable to the presence of outliers. Here, linear mixed models employing thick-tailed distributions for robust inferences in longitudinal data analysis are described. Specific distributions discussed include the Student-t, the slash and the contaminated normal. A Bayesian framework is adopted, and the Gibbs sampler and the Metropolis-Hastings algorithms are used to carry out the posterior analyses. An example with data on orthodontic distance growth in children is discussed to illustrate the methodology. Analyses based on either the Student-t distribution or on the usual Gaussian assumption are contrasted. The thick-tailed distributions provide an appealing robust alternative to the Gaussian process for modelling distributions of the random effects and of residuals in linear mixed models, and the MCMC implementation allows the computations to be performed in a flexible manner.

Kinetic aspects of ion exchange in KhFek[Fe(CN)(6)](l)center dot mH(2)O compounds: A combined electrical and mass transfer functions approach

The present paper quantifies and develops the kinetic aspects involved in the mechanism of interplay between electron and ions presented elsewhere(1) for KhFek[Fe(CN)(6)](l)center dot mH(2)O (Prussian Blue) host materials. Accordingly, there are three different electrochemical processes involved in the PB host materials: H3O+, K+, and H+ insertion/extraction mechanisms which here were fully kinetically studied by means of the use of combined electronic and mass transfer functions as a tool to separate all the processes. The use of combined electronic and mass transfer functions was very important to validate and confirm the proposed mechanism. This mechanism allows the electrochemical and chemical processes involved in the KhFek[Fe(CN)(6)](l)center dot mH(2)O host and Prussian Blue derivatives to be understood. In addition, a formalism was also developed to consider superficial oxygen reduction. From the analysis of the kinetic processes involved in the model, it was possible to demonstrate that the processes associated with K+ and H+ exchanges are reversible whereas the H3O+ insertion process was shown not to present a reversible pattern. This irreversible pattern is very peculiar and was shown to be related to the catalytic proton reduction reaction. Furthermore, from the model, it was possible to calculate the number density of available sites for each intercalation/deintercalation processes and infer that they are very similar for K+ and H+. Hence, the high prominence of the K+ exchange observed in the voltammetric responses has a kinetic origin and is not related to the amount of sites available for intercalation/deintercalation of the ions.

HELICITY WAVE-FUNCTIONS FOR MASSLESS AND MASSIVE SPIN-2 PARTICLES

Starting from general properties of a spin-2 field, we construct helicity wave functions in the framework of the Weyl-van der Waerden spinor formalism. We discuss here the cases of massless and massive spin-2 particles.

EXPLICIT SOLUTIONS FOR TRUNCATED COULOMB POTENTIAL OBTAINED FROM SUPERSYMMETRY

The Schrodinger equation with the truncated Coulomb potential is solved using the supersymmetric quantum mechanics formalism, with and without the cutoff in the angular momentum potential. We obtain some analytical eigenfunctions and eigenvalues for particular values of the cutoff parameter.

Spectroscopic properties of Er3+ in oxysulfide glasses

Er3+ -containing gallium-lanthanum oxysulfide glasses have been prepared from Ga2O3 and La2S3 in a sulfur/argon reactive atmosphere. The samples have been characterized by absorption and emission spectroscopy and IR emission kinetics. Er3+ electronic transition intensities have been analyzed in the light of the Judd-Ofelt formalism, and quantum efficiencies evaluated for the Er3+ emission at 1.5 and 2.7 mum. The results so obtained suggest that these glasses display favorable properties concerning IR optical applications. (C) 2002 Elsevier B.V. B.V. All rights reserved.

Ticks associated with armadillo (Euphractus sexcinctus) and anteater (Myrmecophaga tridactyla) of Emas National Park, State of Goias, Brazil

This study was conducted in October 1998 and November 1999 in the Emas National Park (131,868 ha), a savanna-type cerrado region situated in the far south of Goias State, Brazil, near the geographic center of South America (15degrees-23degrees S; 45degrees-55degrees W). Animals were captured with the aid of nets and anesthetized (15 mg/kg ketamine + 1 mg/kg xylasine) in order to collect ticks for identification and to establish laboratory colonies. They included giant anteaters (Myrmecophaga tridactyla) (n = 4) and yellow armadillos (Euphractus sexcinctus) (n = 6). Free-living ticks (larvae, nymphs, and adults) were collected from the field by using a 1 X 2-m flannel cloth. Free-living ticks were identified as Amblyomma sp., A. cajennense, and A. triste. Adult ticks collected from anteaters were identified as Amblyomma cajennense and A. nodosum and from armadillos as A. pseudoconcolor and A. nodosum. The relevance of these host-tick relationships to possible mechanisms underlying emergence of tick-borne pathogens of importance to public health is discussed.

The SU(2) Skyrme model and anomaly

The SU(2) Shyrme model, expanding in the collective coordinates variables, gives rise to second-class constraints. Recently this system was embedded in a more general Abelian gauge theory using the BFFT Hamiltonian method. in this work we quantize this gauge theory computing the Noether current anomaly using for this two different methods: an operatorial Dirac first class formalism and the non-local BV quantization coupled with the Fujikawa regularization procedure. (C) 2000 Elsevier B.V. B.V. All rights reserved.

Estudo da interação genótipo × ambiente sobre características de crescimento de bovinos de corte utilizando-se inferência bayesiana

The objective of this study was to evaluate the genotype x environment interaction for weaning and yearling weights, daily weight gain from weaning to 12 months of age and the growth performance in Canchim (5/8 Charolais + 3/8 Zebu) beef cattle estimated by a principal components analysis including those three traits. The environment was defined by season of birth (first and second semesters of the year). Genetic parameters were estimated by bayesian method with the Gibbs sampler using bivariate analyses (considering the trait in each of the two seasons as a different one) and models that included the fixed effects of year and month of birth, sex and age of cow (linear and quadratic) and the random effects of animal and residual. The results suggested that genetic evaluation and selection in Canchim beef cattle for the traits studied should consider the genotype and season of birth interaction.

DFT study of the reaction between VO2+ and C2H6

The molecular mechanisms of the reaction VO2+ ((1)A(1)/(3)A'') + C2H6 ((1)A(g)) to yield V(OH)(2)(+) ((1)Sigma(+)/(3)Sigma(-)) + C2H4 ((1)A(g)) and/or VO+ ((1)Delta/(3)Sigma) + H2O ((1)A(1)) + C2H4 (Ag-1) have been investigated with density functional theory (DFT) at the B3LYP/6-311G(2d,p) level. Calculations including geometry optimization, vibrational analysis, and Gibbs free energy for the stationary points on the reactive potential energy surfaces at both the singlet (s) and first excited triplet (t) electronic states have been carried out. The most thermodynamically and kinetically favorable pathway is the formation of t-V(OH)(2)(+) + C2H4 along a four-step molecular mechanism (insertion, two consecutive hydrogen transfers, and elimination). A crossing point between s and t electronic states has been characterized. A comparison with previous works on VO2+ + C2H4 (Gracia et al. J. Phys. Chem. A 2003, 107, 3107-3120) and VO2+ + C3H8 (Engeser et al. Organometallics 2003, 22, 3933-3943) reactions allows us a rationalization of the different reactivity patterns. The catalytic role of water molecules in the tautomerization process between hydrated oxide cation, VO(H2O)(+,) and dihydroxide cation, V(OH)(2)(+), is achieved by a water-assisted mechanism.