Density matrices and momentum distributions in 3He-4He mixtures

We report variational calculations, in the hypernetted-chain (HNC)-Fermi-HNC scheme, of one-body density matrices and one-particle momentum distributions for 3He-4He mixtures described by a Jastrow correlated wave function. The 4He condensate fractions and the 3He strength poles are examined and compared with the Monte Carlo available results. The agreement has been found to be very satisfactory. Their density dependence is also studied.

New approximation to the third-order density : application to the calculation of correlated multicenter indices

In this work we present the formulas for the calculation of exact three-center electron sharing indices (3c-ESI) and introduce two new approximate expressions for correlated wave functions. The 3c-ESI uses the third-order density, the diagonal of the third-order reduced density matrix, but the approximations suggested in this work only involve natural orbitals and occupancies. In addition, the first calculations of 3c-ESI using Valdemoro's, Nakatsuji's and Mazziotti's approximation for the third-order reduced density matrix are also presented for comparison. Our results on a test set of molecules, including 32 3c-ESI values, prove that the new approximation based on the cubic root of natural occupancies performs the best, yielding absolute errors below 0.07 and an average absolute error of 0.015. Furthemore, this approximation seems to be rather insensitive to the amount of electron correlation present in the system. This newly developed methodology provides a computational inexpensive method to calculate 3c-ESI from correlated wave functions and opens new avenues to approximate high-order reduced density matrices in other contexts, such as the contracted Schrödinger equation and the anti-Hermitian contracted Schrödinger equation

Urban population density functions : the case of the Barcelona region

L'anàlisi de la densitat urbana és utilitzada per examinar la distribució espacial de la població dins de les àrees urbanes, i és força útil per planificar els serveis públics. En aquest article, s'estudien setze formes funcionals clàssiques de la relació existent entre la densitat i la distancia en la regió metropolitana de Barcelona i els seus onze subcentres.

Cubic spline population density functions and subcentre delimitation. The case of Barcelona

The presence of subcentres cannot be captured by an exponential function. Cubic spline functions seem more appropriate to depict the polycentricity pattern of modern urban systems. Using data from Barcelona Metropolitan Region, two possible population subcentre delimitation procedures are discussed. One, taking an estimated derivative equal to zero, the other, a density gradient equal to zero. It is argued that, in using a cubic spline function, a delimitation strategy based on derivatives is more appropriate than one based on gradients because the estimated density can be negative in sections with very low densities and few observations, leading to sudden changes in estimated gradients. It is also argued that using as a criteria for subcentre delimitation a second derivative with value zero allow us to capture a more restricted subcentre area than using as a criteria a first derivative zero. This methodology can also be used for intermediate ring delimitation.

The density of injective endomorphisms of a free group

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Semigroups of matrices of intermediate growth

Finitely generated linear semigroups over a field K that have intermediate growth are considered. New classes of such semigroups are found and a conjecture on the equivalence of the subexponential growth of a finitely generated linear semigroup S and the nonexistence of free noncommutative subsemigroups in S, or equivalently the existence of a nontrivial identity satisfied in S, is stated. This ‘growth alternative’ conjecture is proved for linear semigroups of degree 2, 3 or 4. Certain results supporting the general conjecture are obtained. As the main tool, a new combinatorial property of groups is introduced and studied.

On the density distribution across space: a probabilistic approach

This paper aims at providing a Bayesian parametric framework to tackle the accessibility problem across space in urban theory. Adopting continuous variables in a probabilistic setting we are able to associate with the distribution density to the Kendall's tau index and replicate the general issues related to the role of proximity in a more general context. In addition, by referring to the Beta and Gamma distribution, we are able to introduce a differentiation feature in each spatial unit without incurring in any a-priori definition of territorial units. We are also providing an empirical application of our theoretical setting to study the density distribution of the population across Massachusetts.

Sobolev mappings: Lipschitz density is not an isometric invariant of the target

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Spectral analysis of random sparse matrices

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Gaussian estimates for the density of the non-linear stochastic heat equation in any space dimension

In this paper, we establish lower and upper Gaussian bounds for the probability density of the mild solution to the stochastic heat equation with multiplicative noise and in any space dimension. The driving perturbation is a Gaussian noise which is white in time with some spatially homogeneous covariance. These estimates are obtained using tools of the Malliavin calculus. The most challenging part is the lower bound, which is obtained by adapting a general method developed by Kohatsu-Higa to the underlying spatially homogeneous Gaussian setting. Both lower and upper estimates have the same form: a Gaussian density with a variance which is equal to that of the mild solution of the corresponding linear equation with additive noise.

Topologías en espacios de matrices y sistemas Leontief y Leontief-Sraffa

Se demuestra que todo sistema tipo Leontief (o Leontief-Sraffa) puede ser transformado en uno estructuralmente equivalente en el que la matriz tecnológica A tenga la propiedad de que la suma de los elementos de cada columna sea el autovalor máximo a de A; lo que equivale a transformar las unidades físicas originales en unidades que (haciendo abstracción de la componente trabajo) tengan idéntica composición de capital. A un tal sistema transformado lo denominaremos homogeneizado. En este tipo de sistemas aparecen más cómodos los estudios del sistema de precios de Sraffa, la limitación del tipo de beneficio, el reparto del excedente, la interpretación económica de 1/(I - A), la interpretación de los precios utilizando el teorema del punto fijo, la evolución de los precios al variar el tipo de beneficio, etc. Se demuestra que en un sistema homogeneizado "idéntica composición orgánica de capital" (Marx) equivale a idéntica cantidad de trabajo directo.

Comparing methods for dimensionality reduction when data are density functions

Functional Data Analysis (FDA) deals with samples where a whole function is observedfor each individual. A particular case of FDA is when the observed functions are densityfunctions, that are also an example of infinite dimensional compositional data. In thiswork we compare several methods for dimensionality reduction for this particular typeof data: functional principal components analysis (PCA) with or without a previousdata transformation and multidimensional scaling (MDS) for diferent inter-densitiesdistances, one of them taking into account the compositional nature of density functions. The difeerent methods are applied to both artificial and real data (householdsincome distributions)

Hilbert space on probability density functions with Aitchison geometry

Compositional data analysis motivated the introduction of a complete Euclidean structure in the simplex of D parts. This was based on the early work of J. Aitchison (1986) and completed recently when Aitchinson distance in the simplex was associated with an inner product and orthonormal bases were identified (Aitchison and others, 2002; Egozcue and others, 2003). A partition of the support of a random variable generates a composition by assigning the probability of each interval to a part of the composition. One can imagine that the partition can be refined and the probability density would represent a kind of continuous composition of probabilities in a simplex of infinitely many parts. This intuitive idea would lead to a Hilbert-space of probability densitiesby generalizing the Aitchison geometry for compositions in the simplex into the set probability densities

Automatic classification of breast density

A recent trend in digital mammography is computer-aided diagnosis systems, which are computerised tools designed to assist radiologists. Most of these systems are used for the automatic detection of abnormalities. However, recent studies have shown that their sensitivity is significantly decreased as the density of the breast increases. This dependence is method specific. In this paper we propose a new approach to the classification of mammographic images according to their breast parenchymal density. Our classification uses information extracted from segmentation results and is based on the underlying breast tissue texture. Classification performance was based on a large set of digitised mammograms. Evaluation involves different classifiers and uses a leave-one-out methodology. Results demonstrate the feasibility of estimating breast density using image processing and analysis techniques