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Search results for: Born-Oppenheimer approximation
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Approximation of internodal conductivities in numericalsimulation of one-dimensional infiltration, drainage, and capillaryrise in unsaturated soils
PublicationW rozwiązaniu numerycznym jednowymiarowego równania przepływu nienasyconego wymagane jest oszacowanie średniej wartości przewodności hydraulicznej między sąsiednimi węzłami. W artykule zaproponowano nową metodę uśredniania która, w odróżnieniu od metod dotychczas proponowanych, charakteryzuje się dużą dokładnością i szerokim zakresem stosowalności. Nowa metoda oparta jest na analizie przybliżonego profilu potencjału hydraulicznego...
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Description of the thermodynamic properties of BiH 5 and BiH 6 superconductors beyond the mean-field approximation
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ORF Approximation in Numerical Analysis of Fractional Point Kinetics and Heat Exchange Model of Nuclear Reactor
PublicationThis paper presents results concerning numerical solutions of the fractional point kinetics (FPK) and heat exchange (HE) model for a nuclear reactor. The model consists of a nonlinear system of fractional and ordinary differential equations. Two methods to solve the model are compared. The first one applies Oustaloup Recursive Filter (ORF) and the second one applies Refined Oustaloup Recursive Filter (RORF). Simulation tests have...
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ORF Approximation in Numerical Analysis of Fractional Point Kinetics and Heat Exchange Model of Nuclear Reactor
PublicationThis paper presents results concerning numerical solutions of the fractional point kinetics (FPK) and heat exchange (HE) model for a nuclear reactor. The model consists of a nonlinear system of fractional and ordinary differential equations. Two methods to solve the model are compared. The first one applies Oustaloup Recursive Filter (ORF) and the second one applies Refined Oustaloup Recursive Filter (RORF). Simulation tests have...
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Anomalous diffraction approximation to the light scattering coefficient spectra of marine particles with power-law size distribution
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Thermally stimulated currents in amorphous solids at mixed carrier recombination, Part I: Non-equilibrium approximation
PublicationPodano opis teoretyczny prądów termicznie stymulowanych dla przypadku mieszanej rekombinacji nośników ładunku, przy założeniu początkowego zapełnienia głębokich stanów pułapkowych oraz silnie nierównowagowego rozkładu nośników w aktywnych pułapkach. Otrzymane wyrażenia zweryfikowano za pomocą obliczeń numerycznych dla przypadku wykładniczego rozkładu pułapek.
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Continuum wave functions for estimating the electric dipole moment: Calculation based on a multiconfiguration Dirac-Hartree-Fock approximation
PublicationThe multiconfiguration Dirac-Hartree-Fock method is employed to calculate the continuum electron wave functions, which are then used to estimate their contribution to the atomic electric dipole moment (EDM) of 129Xe. The EDM arises from (P,T)-odd electron-nucleon tensor-pseudotensor and pseudoscalar-scalar interactions, the nuclear Schiff moment, the interaction of the electron electric dipole moment with nuclear magnetic moments,...
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Approximation of Message Inter-Arrival and Inter-Departure Time Distributions in IMS/NGN Architecture Using Phase-Type Distributions
PublicationCurrently it is assumed that requirements of the information society for delivering multimedia services will be satisfied by the Next Generation Network (NGN) architecture, which includes elements of the IP Multimedia Subsystem (IMS) solution. In order to guarantee Quality of Service (QoS), NGN has to be appropriately designed and dimensioned. Therefore, proper traffic models should be proposed and applied. This requires determination...
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Werkzeugübergreifende Konsistenzsicherung von Artefakten bei der Entwicklung softwarebasierter Systeme im Automobil
PublicationDie Entwicklung von eingebetteten Systemen im Auto mobilbereich zeichnet sich zunehmend durch steigende Komplexität der zu entwickelnden Fahrzeugfunktionen aus. Die Handhabung dieser Kompl exität wird über entsprechend mächtige Werkzeuge, welche die verschi edenen Aktivitäten des Softwareentwicklungsprozesses unterstützen, angestr ebt. Als eine Schwachstelle erweist sich dabei, dass die eingesetzten Werkzeugk etten im Automobilbereich...
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Power grid frequency measurement in LabVIEW environment using the least mean squares method to signal phase approximation in the presence of noise
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Smooth orthogonal projections on sphere.
PublicationWe construct a decomposition of the identity operator on the sphere S^d as a sum of smooth orthogonal projections subordinate to an open cover of S^d. We give applications of our main result in the study of function spaces and Parseval frames on the sphere.
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Specyfika modernizowanych obiektów zabytkowych.
PublicationOmówienie wpływu wyników badań archeologicznych na zakres prac modernizacyjnych oraz na wybór docelowego użytkowania Hali Targowej w Gdańsku i Merkat del Born w Walencji w Hiszpanii.
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Mathematical analysis of a generalised p53-Mdm2 protein gene expression model
PublicationWe propose the generalisation of the p53-Mdm2 protein gene expression model introduced by Monk (2003). We investigate the stability of a unique positive steady state and formulate conditions which guarantee the occurrence of the Hopf bifurcation. We show that oscillatory behaviour can be caused not only by time lag in protein transcription process, but also can be present in the model without time delay. Moreover, we investigate...
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PROPERTIES OF ONE DIMENSIONAL OPEN-CHANNEL STEADY FLOW EQUATIONS
PublicationIn this paper properties of discrete forms of one dimensional steady gradually varied flow equations are discussed. Such forms of flow equations are obtained as a result of approximation of their differential forms, which is required to solve them numerically. For such purpose explicit or implicit numerical approximation schemes for ordinary differential equations can be applied. It turns out that dependently on the chosen approximation...
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Impact of Low Switching-to-Fundamental Frequency Ratio on Predictive Current Control of PMSM: A simulation study
PublicationPredictive current control algorithms for permanent magnet synchronous (PMSM) drives rely on an assumption that within short intervals motor currents can be approximated with linear functions. This approximation may result either from discretizing the motor model or from simplifications applied to the continuous-time model. As the linear current approximation has been recognized as inaccurate in case when the drive operates with...
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Improved magnitude estimation of complex numbers using alpha max and beta min algorithm
PublicationThe paper presents an improved algorithm for calculating the magnitude of complex numbers. This problem, which is a special case of square rooting, occurs for example, in FFT processors and complex FIR filters. The proposed method of magnitude calculation makes use of the modified alpha max and beta min algorithm. The improved version of the algorithm allows to control the maximum magnitude approximation error by using an adequate...
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Quantum corrections to phi^4 model solutions and applications to Heisenberg chain dynamics
PublicationThe Heisenberg spin chain is considered in φ^4 model approximation. Quantum corrections to classical solutions of the one-dimensional φ^4 model within the correspondent physics are evaluated with account of rest d−1 dimensions of a d-dimensional theory. A quantization of the model is considered in terms of spacetime functional integral. The generalized zeta-function formalism is used to renormalize and evaluate the functional integral...
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Quantum corrections to 4 model solutions and applications to Heisenberg chain dynamics
PublicationThe Heisenberg spin chain is considered in φ^4 model approximation. Quantum corrections to classical solutions of the one-dimensional φ^4 model within the correspondent physics are valuated with account of rest d − 1 dimensions of a d-dimensional theory. A quantization of the model is considered in terms of space- time functional integral. The generalized zeta-function formalism is used to renormalize and evaluate the functional...
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Gdańsk: a City of Solidarity and Freedom
PublicationOnly a few cities can claim that they have changed Europe and indeed the World. Gdańsk is privileged to be one of them. It is not a “caprice of history” that the Solidarity movement which, in the end, got the iron curtain torn, was born in this particular place. It is a logical consequence of ten centuries of the collective wisdom of the people that built Gdańsk and the region of Pomerania. The tragic assassination of the Mayor...
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FPGA realization of an improved alpha max plus beta min algorithm
PublicationThe generalized improved version of the alpha max plus beta min square-rooting algorithm and its realization in the Field Programmable Gate Array (FPGA) are presented. The algorithm computes the square root to calculate the approximate magnitude of a complex sample. It is especially useful for pipelined calculations in the DSP. In case of four approximation regions it is possible to reduce the peak error form 3.95% to 0.33%. This...
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Sensitivity analysis of critical loads of I-columns
PublicationThe first order variation of critical buckling load of thin-walled columns with bisymmetric open cross-section due to some variations of the design variables such as: cross-section dimensions, or material characteristics is derived. The influence of the residual welding stresses is taken into account. In the numerical examples dealing with I-column the functions describing the effect of the variation of the dimensions of the flange...
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Polypyrrole based gas sensor for ammonia detection
PublicationThe nature of polypyrrole response to toxic gases does not allow using the sensor in a conventional way. The main aim of this study is to acquire the information about the concentration using different approaches: a linear approximation, a non-linear approximation and a tangent method. In this paper a two-steps procedure for sensor response measurements has been utilized. Polypyrrole films were electrochemically synthesized on...
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Foreign Entry Modes of High-tech Firms in Poland
PublicationThe main objective of the article is to present the role and importance of foreign entry modes in internationalization process and their key determinants. Research methods: A quantitative research design was used. A survey was conducted on the sample of 263 firms operating in...
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Global Surrogate Modeling by Neural Network-Based Model Uncertainty
PublicationThis work proposes a novel adaptive global surrogate modeling algorithm which uses two neural networks, one for prediction and the other for the model uncertainty. Specifically, the algorithm proceeds in cycles and adaptively enhances the neural network-based surrogate model by selecting the next sampling points guided by an auxiliary neural network approximation of the spatial error. The proposed algorithm is tested numerically...
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Neural Approximators for Variable-Order Fractional Calculus Operators (VO-FC)
PublicationThe paper presents research on the approximation of variable-order fractional operators by recurrent neural networks. The research focuses on two basic variable-order fractional operators, i.e., integrator and differentiator. The study includes variations of the order of each fractional operator. The recurrent neural network architecture based on GRU (Gated Recurrent Unit) cells functioned as a neural approximation for selected...
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Rothe’s method for physiologically structured models with diffusion
PublicationWe consider structured population models with diffusion and dynamic boundary conditions. The respective approximation, called Rothe’s method, produces positive and exponentially bounded solutions. Its solutions converge to the exact solution of the original PDE.
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Computational methods for calculation of binding free energy for ligand-receptor complexes
PublicationAccurate description of the molecular complexes energetic influence is required for understanding of many biological functions carried out by proteins. Therefore, estimation of binding free energy for ligand-receptor complexes is of highest importance for structure-based ligand design and drug discovery approaches.Experimental methods of determination of difference in Gibbs'es free energy have many limitations. Thus, computational...
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Gas sensors based on conducting polymers-recent developments
PublicationThis work discusses sensing performance dependence of PEDOT polymer and its composites on the counter ions used in the polymerization process. The sensors based on PEDOT-RGO composite show reversible response to NO2, while on PEDOT/LiClO4 irreversible. As a result, PEDOT-RGO could be used as a typical gas sensor, while sensor based PEDOT/LiClO4 could be used as an integrating gas sensor, also known as an accumulating gas sensor....
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Multiresolution analysis and adaptive estimation on a sphere using stereographic wavelets
PublicationWe construct an adaptive estimator of a density function on d dimensional unit sphere Sd (d ≥ 2), using a new type of spherical frames. The frames, or as we call them, stereografic wavelets are obtained by transforming a wavelet system, namely Daubechies, using some stereographic operators. We prove that our estimator achieves an optimal rate of convergence on some Besov type class of functions by adapting to unknown smoothness....
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Aproksymacja przebiegu trasy kolejowej na przykładzie krzywoliniowego odcinka połączenia Somonino-Gdańsk Osowa
PublicationW artykule zaprezentowano wyniki wyznaczenia współrzędnych przebiegu trasy kolejowej metodami aproksymacji wielomianowej i interpolacji krzywą kubiczną w oparciu o pomiary czasu rzeczywistego GPS zrealizowane z wykorzystanie polskiej aktywnej sieci geodezyjnej ASG-EUPOS. Rozważania teoretyczne poparte zostały praktycznym przykładem aplikacyjnym opartym o zrealizowane pomiary inwentaryzacyjne zmodernizowanego odcinka toru kolejowego...
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Application of regularized Savitzky–Golay filters to identification of time-varying systems
PublicationSavitzky–Golay (SG) filtering is a classical signal smoothing technique based on the local least squares approximation of the analyzed signal by a linear combination of known functions of time (originally — powers of time, which corresponds to polynomial approximation). It is shown that the regularized version of the SG algorithm can be successfully applied to identification of time-varying finite impulse response (FIR) systems....
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Scheduling on Uniform and Unrelated Machines with Bipartite Incompatibility Graphs
PublicationThe problem of scheduling jobs on parallel machines under an incompatibility relation is considered in this paper. In this model, a binary relation between jobs is given and no two jobs that are in the relation can be scheduled on the same machine. We consider job scheduling under the incompatibility relation modeled by a bipartite graph, under the makespan optimality criterion, on uniform and unrelated machines. Unrelated machines...
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Shared processor scheduling of multiprocessor jobs
PublicationWe study a problem of shared processor scheduling of multiprocessor weighted jobs. Each job can be executed on its private processor and simultaneously on possibly many processors shared by all jobs. This simultaneous execution reduces their completion times due to the processing time overlap. Each of the m shared processors may charge a different fee but otherwise the processors are identical. The goal is to maximize the total...
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Connected early-career experiences of equality in academia during the pandemic and beyond: Our liminal journey
PublicationIn this paper, we draw on our subjective experiences as two female early-career academics during the global COVID-19 pandemic. While we acknowledge that the pandemic had negative implications for many female scholars due to compulsory telework or increased family responsibilities, we also want to shed light on the empowering experiences shaped by collegial support that became an important part of our pandemic story. We build on...
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Multi-objective design of miniaturized impedance transformers by domain segmentation
PublicationFast multi-objective design optimization of compact microstrip impedance transformers is discussed. Our approach exploits approximation models constructed using sampled coarse- mesh EM simulation data in a partitioned design space and response correction techniques for design refinement. Demonstra
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Combined spline wavelet decomposition for 3d seafloor imaging from multibeam sonar echoes
PublicationThe paper proposes combined spline-wavelet approach to the raw echoes seaflor imaging from Multibeam Sonar System (MBSS) records. Wavelet representation is closely related to image representation, due to its unique approximations properties. Splines have the best approximation properties among all known wavelets of a given order, so they are best suited for approximating of smooth seafloor surface. Additionaly, wavelet bases have...
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Method of lines for physiologically structured models with diffusion
PublicationWe deal with a size-structured model with diffusion. Partial differential equations are approximated by a large system of ordinary differential equations. Due to a maximum principle for this approximation method its solutions preserve positivity and boundedness. We formulate theorems on stability of the method of lines and provide suitable numerical experiments.
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Cost-efficient multi-objective design optimization of antennas in highly-dimensional parameter spaces
PublicationMulti-objective optimization of antenna structures in highly-dimensional parameter spaces is investigated. For expedited design, variable-fidelity EM simulations and domain patching algorithm are utilized. The results obtained for a monopole antenna with 13 geometry parameters are compared with surrogate-assisted optimization involving response surface approximation modeling.
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On the Structure of Time in Computational Semantics of a Variable-Step Solver for Hybrid Behavior Analysis
PublicationHybrid dynamic systems combine continuous and discrete behavior. Often, computational approaches are employed to derive behaviors that approximate the analytic solution. An important part of this is the approximation of differential equation behavior by numerical integration. The accuracy and computational efficiency of the integration usually depend on the complexity of the method and its implicated approximation errors, especially...
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Pareto Ranking Bisection Algorithm for EM-Driven Multi-Objective Design of Antennas in Highly-Dimensional Parameter Spaces
PublicationA deterministic technique for fast surrogate-assisted multi-objective design optimization of antennas in highly-dimensional parameters spaces has been discussed. In this two-stage approach, the initial approximation of the Pareto set representing the best compromise between conflicting objectives is obtained using a bisection algorithm which finds new Pareto-optimal designs by dividing the line segments interconnecting previously...
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A Simplified Method of Trend Removal to Determine Noise Observed During a Supercapacitor’s Discharging
PublicationIn this paper, new method of trend removal is proposed. This is a simplified method based on Empirical Mode Decomposition (EMD). The method was applied for voltage time series observed during supercapacitor discharging process. It assured the determination of an additive noise component after subtracting the identified trend component. We analyzed voltage time series observed between the terminals of the supercapacitor when discharged...
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Oriented Gaussian beams for high-accuracy computation with accuracy control of X-ray propagation through a multi-lens system
PublicationA highly accurate method for calculating X-ray propagation is developed. Within this approach, the propagating wave is represented as a superposition of oriented Gaussian beams. The direction of wave propagation in each Gaussian beam agrees with the local direction of propagation of the X-ray wavefront. When calculating the propagation of X-ray waves through lenses, the thin lens approximation is applied. In this approximation,...
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Laboratory Determination of Burger's Model Parameters for Visco-elastic Analysis of Road Pavement Materials
PublicationBurger's Model is one of those models that describes performance of asphalt mixtures. Its parameters can be used in road construction analysis based on visco-elastic properties in wide variety of temperatures using dedicated programs (e.g. Veroad) or in Finite Element Method (FEM). Parameters of Burger's Model can be used for example in prediction of low temperature cracking in low winter temperatures or permanent deformation...
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Fundamentals of Physics-Based Surrogate Modeling
PublicationChapter 1 was focused on data-driven (or approximation-based) modeling methods. The second major class of surrogates are physics-based models outlined in this chapter. Although they are not as popular, their importance is growing because of the challenges related to construction and handling of approximation surrogates for many real-world problems. The high cost of evaluating computational models, nonlinearity of system responses,...
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Exploiting multi-interface networks: Connectivity and Cheapest Paths
PublicationLet G = (V,E) be a graph which models a set of wireless devices (nodes V) that can communicate by means of multiple radio interfaces, according to proximity and common interfaces (edges E). The problem of switching on (activating) the minimum cost set of interfaces at the nodes in order to guarantee the coverage of G was recently studied. A connection is covered (activated) when the endpoints of the corresponding edge share at...
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Design Space Reduction for Expedited Multi-Objective Design Optimization of Antennas in Highly-Dimensional Spaces
PublicationA surrogate-based technique for efficient multi-objective antenna optimization is discussed. Our approach exploits response surface approximation (RSA) model constructed from low-fidelity antenna model data (here, obtained through coarse-discretization electromagnetic simulations). The RSA model enables fast determination of the best available trade-offs between conflicting design goals. The cost of RSA model construction for multi-parameter...
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Reduced-Cost Constrained Modeling of Microwave and Antenna Components: Recent Advances
PublicationElectromagnetic (EM) simulation models are ubiquitous in the design of microwave and antenna components. EM analysis is reliable but CPU intensive. In particular, multiple simulations entailed by parametric optimization or uncertainty quantification may considerably slow down the design processes. In order to address this problem, it is possible to employ fast metamodels. Here, the popular solution approaches are approximation...
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Pressure effects on the electronic structure and superconductivity of (TaNb)0.67(HfZrTi)0.33 high entropy alloy
PublicationEffects of pressure on the electronic structure, electron-phonon interaction, and superconductivity of the high entropy alloy ( TaNb ) 0.67 ( HfZrTi ) 0.33 are studied in the pressure range 0–100 GPa. The electronic structure is calculated using the Korringa-Kohn-Rostoker method with the coherent potential approximation. Effects of pressure on the lattice dynamics are simulated using the Debye-Grüneisen model and the Grüneisen...
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On Bayesian Tracking and Prediction of Radar Cross Section
PublicationWe consider the problem of Bayesian tracking of radar cross section. The adopted observation model employs the gamma family, which covers all Swerling cases in a unified framework. State dynamics are modeled using a nonstationary autoregressive gamma process. The principal component of the proposed solution is a nontrivial gamma approximation, applied during the time update recursion. The superior performance of the proposed approach...
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Fast Basis Function Estimators for Identification of Nonstationary Stochastic Processes
PublicationThe problem of identification of a linear nonsta-tionary stochastic process is considered and solved using theapproach based on functional series approximation of time-varying parameter trajectories. The proposed fast basis func-tion estimators are computationally attractive and yield resultsthat are better than those provided by the local least squaresalgorithms. It is shown that two...