English
Related papers

Related papers: Separation of a Slater determinant wave function w…

200 papers

We consider the inverse problem of determining the geometry of penetrable objects from scattering data generated by one incident wave at a fixed frequency. We first study an orthogonality sampling type method which is fast, simple to…

Numerical Analysis · Mathematics 2022-07-21 Thu Le , Dinh-Liem Nguyen , Vu Nguyen , Trung Truong

In the framework of a recently reported linear-scaling method for density-functional-pseudopotential calculations, we investigate the use of localized basis functions for such work. We propose a basis set in which each local orbital is…

mtrl-th · Physics 2009-10-30 E. Hernandez , M. J. Gillan , C. M. Goringe

We present a tensor-structured algorithm for efficient large-scale DFT calculations by constructing a Tucker tensor basis that is adapted to the Kohn-Sham Hamiltonian and localized in real-space. The proposed approach uses an additive…

Computational Physics · Physics 2021-01-12 Chih-Chuen Lin , Phani Motamarri , Vikram Gavini

Matrix elements between nonorthogonal Slater determinants represent an essential component of many emerging electronic structure methods. However, evaluating nonorthogonal matrix elements is conceptually and computationally harder then…

Chemical Physics · Physics 2024-06-19 Hugh G. A. Burton

Scalar wave scattering by many small particles of arbitrary shapes with impedance boundary condition is studied. The problem is solved asymptotically and numerically under the assumptions a << d << lambda, where k = 2pi/lambda is the wave…

Numerical Analysis · Mathematics 2016-02-16 Alexander Ramm , Nhan Tran

Schmidt modes of non-collinear biphoton angular wave functions are found analytically. The experimentally realizable procedure is described for their separation. Parameters of the Schmidt decomposition are used for evaluation of the degree…

Quantum Physics · Physics 2014-11-11 Mikhail Fedorov

We investigate theoretically coherent detection implemented simultaneously on a set of mutually orthogonal spatial modes in the image plane as a method to characterize properties of a composite thermal source below the Rayleigh limit. A…

This paper describes a fast and accurate method for obtaining steerable principal components from a large dataset of images, assuming the images are well localized in space and frequency. The obtained steerable principal components are…

Computer Vision and Pattern Recognition · Computer Science 2018-08-10 Boris Landa , Yoel Shkolnisky

In this paper, two high order complex contour discretization methods are proposed to simulate wave propagation in locally perturbed periodic closed waveguides. As is well known the problem is not always uniquely solvable due to the…

Numerical Analysis · Mathematics 2022-07-27 Ruming Zhang

Distributed order fractional operators offer a rigorous tool for mathematical modelling of multi-physics phenomena, where the differential orders are distributed over a range of values rather than being just a fixed integer/fraction as it…

Numerical Analysis · Mathematics 2016-05-02 Ehsan Kharazmi , Mohsen Zayernouri , George Em Karniadakis

Nasopharyngeal Carcinoma (NPC) is a leading form of Head-and-Neck (HAN) cancer in the Arctic, China, Southeast Asia, and the Middle East/North Africa. Accurate segmentation of Organs-at-Risk (OAR) from Computed Tomography (CT) images with…

Image and Video Processing · Electrical Eng. & Systems 2021-02-04 Wenhui Lei , Haochen Mei , Zhengwentai Sun , Shan Ye , Ran Gu , Huan Wang , Rui Huang , Shichuan Zhang , Shaoting Zhang , Guotai Wang

We present a novel application of a recently-proposed matrix-parametrized proximal splitting method to sensor network localization, the problem of estimating the locations of a set of sensors using only noisy pairwise distance information…

Optimization and Control · Mathematics 2025-03-18 Peter Barkley , Robert L. Bassett

We construct an algorithm for implementing the discrete wavelet transform by means of matrices in SO_2(R) for orthonormal compactly supported wavelets and matrices in SL_m(R), m > = 2, for compactly supported biorthogonal wavelets. We show…

Mathematical Software · Computer Science 2007-05-23 Eirik Fossgaard

Over half a million individuals are diagnosed with head and neck cancer each year worldwide. Radiotherapy is an important curative treatment for this disease, but it requires manual time consuming delineation of radio-sensitive organs at…

s in laser systems with two fractional-dispersion/diffraction terms, quantified by their L\'{e}vy indices, $\alpha_{1}\, \alpha_{2}\in (1, 2]$, and self-focusing or defocusing Kerr nonlinearity. Some fundamental solitons are obtained by…

Pattern Formation and Solitons · Physics 2024-09-04 Ming Zhong , Yong Chen , Zhenya Yan , Boris A. Malomed

A new set of discrete ordinates is proposed for one-dimensional radiative transfer in spheres with central symmetry. The set is structured with un-normalized circular functions. This resulted in a conservative and closed set of discrete…

Astrophysics · Physics 2007-05-23 Charles H. Aboughantous

An differential equation for wave functions is proposed, which is equivalent to Schr\"{o}dinger's wave equation and can be used to determine energy-level gaps of quantum systems. Contrary to Schr\"{o}dinger's wave equation, this equation is…

Quantum Physics · Physics 2007-05-23 Zeqian Chen

One-particle Schrodinger equations are considered, e.g., the Hartree--Fock equations, that contain a nonlocal operator, e.g., the Hartree--Fock exchange operator, where this operator depends on the one-particle density-matrix of a…

Chemical Physics · Physics 2007-05-23 James P. Finley

Optimal sampling of non band-limited functions is an issue of great importance that has attracted considerable attention. We propose to tackle this problem through the use of a frequency warping: First, by a nonlinear shrinking of…

Classical Analysis and ODEs · Mathematics 2017-03-07 Stefan Lafon , Jacques Lévy Véhel , Jacques Peyrière

We develop an analytical method for the processing of electron spin resonance (ESR) spectra. The goal is to obtain the distributions of trapped carriers over both their degree of localization and their binding energy in semiconductor…

Materials Science · Physics 2012-03-28 Andrey S. Mishchenko , Hiroyuki Matsui , Tatsuo Hasegawa