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We give a fairly comprehensive review of wavelets and of their application to density-functional theory (DFT) and to our recent application of a wavelet-based version of linear-response time-dependent DFT (LR-TD-DFT). Our intended audience…

其他凝聚态物理 · 物理学 2011-10-24 Bhaarathi Natarajan , Mark E. Casida , Luigi Genovese , Thierry Deutsch

Vector-valued discrete Fourier transforms (DFTs) and ambiguity functions are defined. The motivation for the definitions is to provide realistic modeling of multi-sensor environments in which a useful time-frequency analysis is essential.…

泛函分析 · 数学 2017-06-20 Travis D. Andrews , John J. Benedetto , Jeffrey J. Donatelli

We consider the problem of finding the Discrete Fourier Transform (DFT) of $N-$ length signals with known frequency support of size $k$. When $N$ is a power of 2 and the frequency support is a spectral set, we provide an $O(k \log k)$…

信号处理 · 电气工程与系统科学 2021-10-07 P Charantej Reddy , V S S Prabhu Tej , Aditya Siripuram , Brad Osgood

Static correlation is a difficult problem for density-functional theory (DFT) as it arises in cases of degenerate or quasi-degenerate states where a multideterminantal wave function provides the simplest reasonable first approximation to…

化学物理 · 物理学 2024-01-01 Abraham Ponra , Carolyne Bakasa , Anne Justine Etindele , Mark E. Casida

Frequency estimation is a fundamental problem in many areas. The well-known A&M and its variant estimators have established an estimation framework by iteratively interpolating the discrete Fourier transform (DFT) coefficients. In general,…

信号处理 · 电气工程与系统科学 2021-05-31 Kai Wu , J. Andrew Zhang , Xiaojing Huang , Y. Jay Guo

In this paper, we propose the Fourier frequency vector (FFV), inherently, associated with multidimensional Fourier transform. With the help of FFV, we are able to provide physical meaning of so called negative frequencies in…

信息论 · 计算机科学 2019-05-13 Pushpendra Singh , Shiv Dutt Joshi

In this paper, we present two variations of an algorithm for signal reconstruction from one-bit or two-bit noisy observations of the discrete Fourier transform (DFT). The one-bit observations of the DFT correspond to the sign of its real…

信号处理 · 电气工程与系统科学 2022-05-25 Mohak Goyal , Animesh Kumar

Nonlinear distortion experienced by signals during their propagation through optical fibers strongly limits the throughput of optical communication systems. Recently, a strong research focus has been dedicated to nonlinearity mitigation and…

信号处理 · 电气工程与系统科学 2019-03-14 F. Da Ros , S. Civelli , S. Gaiarin , E. P. da Silva , N. De Renzis , M. Secondini , D. Zibar

Density functional theory (DFT) is an essential building block for modern theoretical physics, chemistry, and engineering, especially those concerning electronic properties. Through decades of development, various program packages for…

材料科学 · 物理学 2022-11-21 Yusuke Nomura , Ryosuke Akashi

In his monograph Chebyshev and Fourier Spectral Methods, John Boyd claimed that, regarding Fourier spectral methods for solving differential equations, ``[t]he virtues of the Fast Fourier Transform will continue to improve as the relentless…

数值分析 · 数学 2023-02-03 Craig Gross , Mark Iwen

The short-time Fourier transform (STFT) is widely used for analyzing non-stationary signals. However, its performance is highly sensitive to its parameters, and manual or heuristic tuning often yields suboptimal results. To overcome this…

声音 · 计算机科学 2025-06-27 Maxime Leiber , Yosra Marnissi , Axel Barrau , Sylvain Meignen , Laurent Massoulié

In the past decade, classical dynamical density functional theory (DDFT) has been developed and widely applied to the Brownian dynamics of interacting colloidal particles. One of the possible derivation routes of DDFT from the microscopic…

软凝聚态物质 · 物理学 2014-01-28 Raphael Wittkowski , Hartmut Löwen , Helmut R. Brand

The Fast Fourier Transform (FFT) is the most efficiently known way to compute the Discrete Fourier Transform (DFT) of an arbitrary n-length signal, and has a computational complexity of O(n log n). If the DFT X of the signal x has only k…

信息论 · 计算机科学 2015-01-05 Sameer Pawar , Kannan Ramchandran

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…

数值分析 · 数学 2022-09-05 Lutz Kämmerer , Daniel Potts , Fabian Taubert

Linear-scaling implementations of density functional theory (DFT) reach their intended efficiency regime only when applied to systems having a physical size larger than the range of their Kohn-Sham density matrix (DM). This causes a problem…

化学物理 · 物理学 2022-03-25 Marcel David Fabian , Ben Shpiro , Eran Rabani , Daniel Neuhauser , Roi Baer

Optical spectrum analysis is the cornerstone of spectroscopic sensing, optical network performance monitoring, and hyperspectral imaging. While conventional high-performance spectrometers used to perform such analysis are often large…

应用物理 · 物理学 2018-03-19 Derek M. Kita , Brando Miranda , David Favela , David Bono , Jerome Michon , Hongtao Lin , Tian Gu , Juejun Hu

Classical Density Functional Theory (DFT) is a statistical-mechanical framework to analyze fluids, which accounts for nanoscale fluid inhomogeneities and non-local intermolecular interactions. DFT can be applied to a wide range of…

计算工程、金融与科学 · 计算机科学 2017-02-07 Andreas Nold , Benjamin D. Goddard , Peter Yatsyshin , Nikos Savva , Serafim Kalliadasis

By viewing the nonuniform discrete Fourier transform (NUDFT) as a perturbed version of a uniform discrete Fourier transform, we propose a fast, stable, and simple algorithm for computing the NUDFT that costs $\mathcal{O}(N\log…

数值分析 · 数学 2017-01-18 Diego Ruiz-Antolin , Alex Townsend

Digital filters for recursively computing the discrete Fourier transform (DFT) and estimating the frequency spectrum of sampled signals are examined, with an emphasis on magnitude-response and numerical stability. In this tutorial-style…

系统与控制 · 计算机科学 2015-08-26 Hugh L. Kennedy

The article presents a computationally effective algorithm for calculating the multiresolution discrete Fourier transform (MrDFT). The algorithm is based on the idea of reducing the computational complexity which was introduced by Wen and…

数据结构与算法 · 计算机科学 2015-07-10 Bartosz Andreatto , Aleksandr Cariow