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The Wave Function Matching (WFM) technique has recently been developed for the calculation of electronic transport in quantum two-probe systems. In terms of efficiency it is comparable with the widely used Green's function approach. The WFM…

By including a fraction of exact exchange (EXX), hybrid functionals reduce the self-interaction error in semi-local density functional theory (DFT), and thereby furnish a more accurate and reliable description of the electronic structure in…

Computational Physics · Physics 2021-05-10 Hsin-Yu Ko , Junteng Jia , Biswajit Santra , Xifan Wu , Roberto Car , Robert A. DiStasio

We develop the uniform sparse Fast Fourier Transform (usFFT), an efficient, non-intrusive, adaptive algorithm for the solution of elliptic partial differential equations with random coefficients. The algorithm is an adaption of the sparse…

Numerical Analysis · Mathematics 2022-09-05 Lutz Kämmerer , Daniel Potts , Fabian Taubert

The inherently high computational cost of iterative self-consistent-field (SCF) methods proves to be a critical issue delaying visual and haptic feedback in real-time quantum chemistry. In this work, we introduce two schemes for SCF…

Chemical Physics · Physics 2016-03-10 Adrian H. Mühlbach , Alain C. Vaucher , Markus Reiher

A previous article showed that alternative expressions for calculating oblate spheroidal radial functions of both kinds can provide accurate values over very large parameter ranges using double precision arithmetic, even where the…

Numerical Analysis · Mathematics 2020-09-04 Arnie L. Van Buren

We present a technique to efficiently compute long-range interactions in systems with periodic boundary conditions. We extend the well-known Ewald method by using a linear combination of screening Gaussian charge distributions instead of…

Computational Physics · Physics 2014-09-16 Ilkka Kylänpää , Esa Räsänen

An integrated photonic circuit architecture to perform a modified-convolution operation based on the Discrete Fractional Fourier Transform (DFrFT) is introduced. This is accomplished by utilizing two nonuniformly-coupled waveguide lattices…

Optics · Physics 2025-02-25 Kevin Zelaya , Mohammad-Ali Miri

The spheroidal wave functions, which are the solutions to the Helmholtz equation in spheroidal coordinates, are notoriously difficult to compute. Because of this, practically no programming language comes equipped with the means to compute…

Mathematical Software · Computer Science 2014-08-04 Ross Adelman , Nail A. Gumerov , Ramani Duraiswami

We describe and compare two types of microwave sky simulations which are good for small angular scales. The first type uses expansions in spherical harmonics, and the second one is based on plane waves and the Fast Fourier Transform. The…

Astrophysics · Physics 2016-08-15 D. Sáez , E. Holtmann , G. F. Smoot

In this work, we first give various explicit and local estimates of the eigenfunctions of a perturbed Jacobi differential operator. These eigenfunctions generalize the famous classical prolate spheroidal wave functions (PSWFs), founded in…

Classical Analysis and ODEs · Mathematics 2017-05-03 Abderrazek Karoui , Ahmed Souabni

In this paper, we propose a fast and accurate numerical method based on Fourier transform to solve Kolmogorov forward equations of symmetric scalar L\'evy processes. The method is based on the accurate numerical formulas for Fourier…

Numerical Analysis · Mathematics 2015-07-28 Ken'ichiro Tanaka

The Fourier transform is approximated over a finite domain using a Riemann sum. This Riemann sum is then expressed in terms of the discrete Fourier transform, which allows the sum to be computed with a fast Fourier transform algorithm more…

Numerical Analysis · Mathematics 2015-08-07 Jeremy Axelrod

In this article, we compare a set of Wave Front Sensors (WFS) based on Fourier filtering technique. In particular, this study explores the "class of pyramidal WFS" defined as the 4 faces pyramid WFS, all its recent variations (6, 8 faces,…

Instrumentation and Methods for Astrophysics · Physics 2017-03-10 Olivier Fauvarque , Benoit Neichel , Thierry Fusco , Jean-François Sauvage , Orion Giraut

Scalar diffraction calculations such as the angular spectrum method (ASM) and Fresnel diffraction, are widely used in the research fields of optics, X-rays, electron beams, and ultrasonics. It is possible to accelerate the calculation using…

We investigate the uniqueness of short-time Fourier transform phase retrieval problems in $L^2(\mathbb{R})$. In particular, for underlying window functions whose Fourier transform decay faster than any exponential function, we derive…

Functional Analysis · Mathematics 2025-11-21 Shuang Guan , Kasso A. Okoudjou

This paper introduces a new Windowed Green Function (WGF) method for the numerical integral-equation solution of problems of electromagnetic scattering by obstacles in presence of dielectric or conducting half-planes. The WGF method, which…

Computational Physics · Physics 2015-08-05 Oscar Bruno , Mark Lyon , Carlos Perez-Arancibia , Catalin Turc

The enhanced Gaussian noise (EGN) model, which accounts for inter-channel stimulated Raman scattering (ISRS), has been extensively utilized for evaluating nonlinear interference (NLI) within the C+L band. Compared to closed-form expressions…

Signal Processing · Electrical Eng. & Systems 2025-09-03 Ruiyang Xia , Guanjun Gao , Zanshan Zhao , Haoyu Wang , Kun Wen , Daobin Wang

We employ an effective field theory (EFT) that exploits the separation of scales in the p-wave halo nucleus $^8\mathrm{B}$ to describe the process $^7\mathrm{Be}(p,\gamma)^8\mathrm{B}$ up to a center-of-mass energy of 500 keV. The…

Nuclear Theory · Physics 2018-10-03 Xilin Zhang , Kenneth M. Nollett , Daniel R. Phillips

In this paper we aim to give various explicit and local estimates of ball prolate spheroidal wave functions defined in [25] as eigenfunctions of both finite Fourier transform and some differential operator. In particular, we give further…

Classical Analysis and ODEs · Mathematics 2023-05-08 Ahmed Souabni

Simulating the static and dynamic properties of semidilute polymer solutions with Brownian dynamics (BD) requires the computation of a large system of polymer chains coupled to one another through excluded-volume and hydrodynamic…

Soft Condensed Matter · Physics 2020-07-03 Aashish Jain , P. Sunthar , B. Dünweg , J. Ravi Prakash