Related papers: Robust ab initio calculation of condensed matter: …
We introduce a new concept of the so-called {\it composite wavelet transforms}. These transforms are generated by two components, namely, a kernel function and a wavelet function (or a measure). The composite wavelet transforms and the…
Moving beyond traditional 2D materials is now desirable to have switching capabilities (e.g., transistors). Here we propose using borophene because, as we will show in this letter, obtaining regions of the electronic bandstructure which act…
A nearly optimal explicitly-sparse representation for oscillatory kernels is presented in this work by developing a curvelet based method. Multilevel curvelet-like functions are constructed as the transform of the original nodal basis. Then…
We have applied the Finite Element Method to the self-consistent electronic structure calculations of molecules and solids for the first time. In this approach all the calculations are performed in "real space" and the use of non-uniform…
Daubechies wavelets are a powerful systematic basis set for electronic structure calculations because they are orthogonal and localized both in real and Fourier space. We describe in detail how this basis set can be used to obtain a highly…
The paper is concerned with the sparse approximation of functions having hybrid regularity borrowed from the theory of solutions to electronic Schr\"odinger equations due to Yserentant [43]. We use hyperbolic wavelets to introduce…
We employ ptychography, a phase-retrieval imaging technique, to show experimentally for the first time that a partially coherent high-energy matter (electron) wave emanating from an extended source can be decomposed into a set of mutually…
We present a Parseval tight wavelet frame for the representation and analysis of velocity vector fields of incompressible fluids. Our wavelets have closed form expressions in the frequency and spatial domains, are divergence free in the…
This revisit gives a survey on the analytical methods for the inverse exponential Radon transform which has been investigated in the past three decades from both mathematical interests and medical applications such as nuclear medicine…
We construct spherical wavelets based on approximate identities that are directional, i.e. not rotation-invariant, and have an adaptive angular selectivity. The problem of how to find a proper representation of distinct kinds of details of…
We present a review of the basic ideas and techniques of the spectral density functional theory which are currently used in electronic structure calculations of strongly-correlated materials where the one-electron description breaks down.…
A general set of methods is presented for calculating chemical potentials in solid and liquid mixtures using {\em ab initio} techniques based on density functional theory (DFT). The methods are designed to give an {\em ab initio} approach…
This paper aims at presenting a new approach to the electro-sensing problem using wavelets. It provides an efficient algorithm for recognizing the shape of a target from micro-electrical impedance measurements. Stability and resolution…
We present alphaPDE, a new multivariate analysis technique for parameter estimation. The method is based on a direct construction of joint probability densities of known variables and the parameters to be estimated. We show how posterior…
Ab initio description of point defects in semiconductors, characterized by in-gap states of significant multideterminant character, presents a longstanding theoretical challenge for density functional theory (DFT) methods. In this study, we…
We present an approach based on density-functional theory for the calculation of fundamental gaps of both finite and periodic two-dimensional (2D) electronic systems. The computational cost of our approach is comparable to that of total…
Wavelet estimators for a probability density f enjoy many good properties, however they are not "shape-preserving" in the sense that the final estimate may not be non-negative or integrate to unity. A solution to negativity issues may be to…
The multiresolution analysis of Alpert is considered. Explicit formulas for the entries in the matrix coefficients of the refinement equation are given in terms of hypergeometric functions. These entries are shown to solve generalized…
Density matrix embedding theory (Phys. Rev. Lett. 109, 186404 (2012)) and density embedding theory ((Phys. Rev. B 89, 035140 (2014)) have recently been introduced for model lattice Hamiltonians and molecular systems. In the present work,…
In this paper, we introduce a wavelet-based method for estimating the EDR space in Li's semiparametric regression model for achieving dimension reduction. This method is obtained by using linear wavelet estimators of the density and…