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Subjects / keywords: numerical analysis, approximation theory, applied mathematics, optimization, differential equations, mathematics; Science: Mathematics

Subjects / keywords: Adiabatic process; Density functional theory; Hybrid functional; Excitation; Time-dependent density functional theory; Work (physics); Orbital-free density functional theory; Local-density approximation; Adiabatic theore...

Introduction and Preliminaries. Problems, Algorithms, and Complexity. LINEAR ALGEBRA. Linear Algebra and Complexity. LATTICES AND LINEAR DIOPHANTINE EQUATIONS. Theory of Lattices and Linear Diophantine Equations. Algorit...

We propose a form for the exchange-correlation potential in local-density band theory, appropriate for Mott insulators. The idea is to use the ``constrained-local-density-approximation'' Hubbard parameter U as the quanti...

Density functional approximations for the exchange-correlation energy EDFAxc of an electronic system are often improved by admixing some exact exchange Ex: Exc≊EDFAxc+(1/n)(Ex−EDFAx). This procedure is justified when...

A perturbation theory is developed for treating a system of $n$ electrons in which the Hartree-Fock solution appears as the zero-order approximation. It is shown by this development that the first order correction for th...

We present a unified scheme that, by combining molecular dynamics and density-functional theory, profoundly extends the range of both concepts. Our approach extends molecular dynamics beyond the usual pair-potential appr...

Previous article Next article An Algorithm for Least-Squares Estimation of Nonlinear ParametersDonald W. MarquardtDonald W. Marquardthttps://doi.org/10.1137/0111030PDFPDF PLUSBibTexSections ToolsAdd to favoritesExport Ci...

It is suggested that the nucleon mass arises largely as a self-energy of some primary fermion field through the same mechanism as the appearance of energy gap in the theory of superconductivity. The idea can be put into ...

Murnaghan's theory of finite strain is developed for a medium of cubic symmetry subjected to finite hydrostatic compression, plus an arbitrary homogeneous infinitesimal strain. The free energy is developed for cubic symm...

This book presents a comprehensive review of the subject of gravitational effects in quantum field theory. Although the treatment is general, special emphasis is given to the Hawking black hole evaporation effect, and to...

Abstract In a 1935 paper and in his book Theory of Probability, Jeffreys developed a methodology for quantifying the evidence in favor of a scientific theory. The centerpiece was a number, now called the Bayes factor, wh...

It is argued that P-values and the tests based upon them give unsatisfactory results, especially in large samples. It is shown that, in regression, when there are many candidate independent variables, standard variable s...

We discuss the following problem: given a random sample $\mathbf{X} = (X_1, X_2, \cdots, X_n)$ from an unknown probability distribution $F$, estimate the sampling distribution of some prespecified random variable $R(\mat...

This study evaluated the sensitivity of maximum likelihood (ML)-, generalized least squares (GLS)-, and asymptotic distribution-free (ADF)-based fit indices to model misspecification, under conditions that varied sample ...

Previous article Next article Fractional Brownian Motions, Fractional Noises and ApplicationsBenoit B. Mandelbrot and John W. Van NessBenoit B. Mandelbrot and John W. Van Nesshttps://doi.org/10.1137/1010093PDFBibTexSecti...

The Gibbs sampler, the algorithm of Metropolis and similar iterative simulation methods are potentially very helpful for summarizing multivariate distributions. Used naively, however, iterative simulation can give mislea...

This paper develops asymptotic distribution theory for instrumental variable regression when the partial correlation between the instruments and a single included endogenous variable is weak, here modeled as local to zer...

Following upon the general theory in Part I, a considerable simplification is here introduced in the treatment of the case where the grain centers of the new phase are randomly distributed. Also, the kinetics of the main...

Preface Prologue: The Exponential Function Chapter 1: Abstract Integration Set-theoretic notations and terminology The concept of measurability Simple functions Elementary properties of measures Arithmetic in [0, ] Integ...

From a theory of Hohenberg and Kohn, approximation methods for treating an inhomogeneous system of interacting electrons are developed. These methods are exact for systems of slowly varying or high density. For the groun...

Subjects / keywords: Approximation theory; Functions, Special; Electronic books

Subjects / keywords: Metaheuristics; Operations research; Combinatorial optimization; Approximation theory