Search results for "density [charge]"
showing 10 items of 318 documents
The shape of small sample biases in pricing kernel estimations
2016
AbstractNumerous empirical studies find pricing kernels that are not-monotonically decreasing; the findings are at odds with the pricing kernel being marginal utility of a risk-averse, so-called representative agent. We study in detail the common procedure which estimates the pricing kernel as the ratio of two separate density estimations. In the first step, we analyse theoretically the functional dependence for the ratio of a density to its estimated density; this cautions the reader regarding potential computational issues coupled with statistical techniques. In the second step, we study this quantitatively; we show that small sample biases shape the estimated pricing kernel, and that est…
Identification of differential risk hotspots for collision and vehicle type in a directed linear network
2019
Traffic accidents can take place in very different ways and involve a substantially distinct number and types of vehicles. Thus, it is of interest to know which parts of a road structure present an overrepresentation of a specific type of traffic accident, specially for some typologies of collisions and vehicles that tend to trigger more severe consequences for the users being involved. In this study, a spatial approach is followed to estimate the risk that different types of collisions and vehicles present in the central area of Valencia (Spain), considering the accidents observed in this city during the period 2014-2017. A directed spatial linear network representing the non-pedestrian ro…
Quantum Mechanical Modelling of Pure and Defective KNbO3 Perovskites
2000
Ab initio electronic structure calculations using the density-functional theory (DFT) are performed for KNbO3 with and without defects. Ferroelectric distortive transitions involve very small changes in energies and are therefore sensitive to DFT-approximations. This is discussed by comparing results obtained with the local density approximation (LDA) to those where generalized gradient approximations (GGA) are used. The results of ab initio calculations for F-type centers and bound hole polarons are compared to those obtained by a semiempirical method of the Intermediate Neglect of the Differential Overlap (INDO), based on the HartreeFock formalism. Supercells with 40 and 320 atoms were us…
First-Principles Simulation of Substitutional Defects in Perovskites
2000
The results of supercell calculations of electronic structure and related properties of substitutional impurities in perovskite oxides KNbO3 and KTaO3 are discussed. For Fe impurities in KNbO3, the results obtained in the local density approximation (LDA) and in the LDA+U approach (that allows an ad hoc treatment of nonlocality in exchange-correlation) are compared, and different impurity charge configurations are discussed. The study of off-centre Li defects in incipient ferroelectric KTaO3 have been done by the appropriately parametrized Intermediate Neglect of Differential Overlap (INDO) method. The interaction energies of two off-centre impurities in different relative configurations ar…
New Materials with High Spin Polarization Investigated by X-Ray Magnetic Circular Dichroism
2013
We investigate element-specific spin and orbital magnetic moments of polycrystalline bulk Heusler alloys that are predicted to be half-metallic with composition Co2YZ (Y = Ti, Cr, Mn, Fe and Z = Al, Ga, Si, Ge, Sn, Sb) using magnetic circular dichroism in X-ray absorption spectroscopy (XAS/XMCD). In addition to stoichiometric compounds we also investigate composition series with partly replaced elements on the Y-site (Co2Fe x Cr1−x Si, Co2Mn x Ti1−x Si and Co2Mn x Ti1−x Ge) and on the Z-site (Co2MnGa1−x Ge x ) promising a tailoring of the Fermi level with respect to the minority band gap. We compare experimental results with theoretical predictions elucidating the influence of local disorde…
Realistic investigations of correlated electron systems with LDA + DMFT
2006
Conventional band structure calculations in the local density approximation (LDA) [1–3] are highly successful for many materials, but miss important aspects of the physics and energetics of strongly correlated electron systems, such as transition metal oxides and f-electron systems displaying, e.g., Mott insulating and heavy quasiparticle behavior. In this respect, the LDA + DMFT approach which merges LDA with a modern many-body approach, the dynamical mean-field theory (DMFT), has proved to be a breakthrough for the realistic modeling of correlated materials. Depending on the strength of the electronic correlation, a LDA + DMFT calculation yields the weakly correlated LDA results, a strong…
Superfluidity of fermionic pairs in a harmonic trap. Comparative studies: Local Density Approximation and Bogoliubov-de Gennes solutions
2020
Abstract Experiments with ultracold gases on the lattice give the opportunity to realize superfluid fermionic mixtures in a trapping potential. The external trap modifies the chemical potential locally. Moreover, this trap also introduces non-homogeneity in the superconducting order parameter. There are, among other approaches, two methods which can be used to describe the system of two-component mixtures loaded into an optical lattice: the Local Density Approximation (LDA) and the self-consistent Bogoliubov–de Gennes equations. Here, we compare results obtained within these two methods. We conclude that the results can be distinguishable only in the case of a small value of the pairing int…
Calculations of the atomic and electronic structure for SrTiO3 perovskite thin films
2001
The results of calculations of SrTiO3 (100) surface relaxation and rumpling with two different terminations (SrO and TiO2) are presented and discussed. We have used the ab initio Hartree–Fock (HF) method with electron correlation corrections and the density functional theory (DFT) with different exchange–correlation functionals, including hybrid exchange techniques. All methods agree well on surface energies and on atomic displacements, as well as on the considerable increase of covalency effects near the surface. More detailed experiments on surface rumpling and relaxation are necessary for further testing of theoretical predictions.
PCA Gaussianization for image processing
2009
The estimation of high-dimensional probability density functions (PDFs) is not an easy task for many image processing applications. The linear models assumed by widely used transforms are often quite restrictive to describe the PDF of natural images. In fact, additional non-linear processing is needed to overcome the limitations of the model. On the contrary, the class of techniques collectively known as projection pursuit, which solve the high-dimensional problem by sequential univariate solutions, may be applied to very general PDFs (e.g. iterative Gaussianization procedures). However, the associated computational cost has prevented their extensive use in image processing. In this work, w…
Wavelet analysis of baryon acoustic structures in the galaxy distribution
2011
Baryon Acoustic Oscillations (BAO) are a feature imprinted in the density field by acoustic waves travelling in the plasma of the early universe. Their fixed scale can be used as a standard ruler to study the geometry of the universe. BAO have been previously detected using correlation functions and power spectra of the galaxy distribution. In this work, we present a new method for the detection of the real-space structures associated with this feature. These baryon acoustic structures are spherical shells with a relatively small density contrast, surrounding high density central regions. We design a specific wavelet adapted to the search for shells, and exploit the physics of the process b…