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Density-functional theory (DFT) has revolutionized computer simulations in chemistry and material science. A faithful implementation of the theory requires self-consistent calculations. However, this effort involves repeatedly diagonalizing…

Quantum Physics · Physics 2023-07-17 Taehee Ko , Xiantao Li , Chunhao Wang

Attosecond nonlinear Fourier transform (NFT) pump probe spectroscopy is an experimental technique which allows investigation of the electronic excitation, ionization, and unimolecular dissociation processes. The NFT spectroscopy utilizes…

Chemical Physics · Physics 2021-02-11 Sergy Grebenshchikov , Sergio Carbajo

We develop a method for the multifractal characterization of nonstationary time series, which is based on a generalization of the detrended fluctuation analysis (DFA). We relate our multifractal DFA method to the standard partition…

Data Analysis, Statistics and Probability · Physics 2009-11-07 Jan W. Kantelhardt , Stephan A. Zschiegner , Eva Koscielny-Bunde , Armin Bunde , Shlomo Havlin , H. Eugene Stanley

Quadratic fluctuations require an evaluation of ratios of functional determinants of second-order differential operators. We relate these ratios to the Green functions of the operators for Dirichlet, periodic and antiperiodic boundary…

Quantum Physics · Physics 2009-10-31 H. Kleinert , A. Chervyakov

Many media are divided into elementary units with irregular shape and size, as exemplified by domains in magnetic materials, bubbles in foams, or cells in biological tissues. Such media are essentially characterized by geometrical disorder…

Biological Physics · Physics 2021-04-21 Antoine Fruleux , Arezki Boudaoud

Fourier neural operators (FNOs) can learn highly nonlinear mappings between function spaces, and have recently become a popular tool for learning responses of complex physical systems. However, to achieve good accuracy and efficiency, FNOs…

Machine Learning · Computer Science 2023-10-31 Ning Liu , Siavash Jafarzadeh , Yue Yu

This article explores a general factor structure for high-dimensional nonstationary functional time series, encompassing a wide range of factor models studied in the existing literature. We investigate the asymptotic spectral behaviors of…

Methodology · Statistics 2026-03-30 Adam Nie , Yanrong Yang , Han Lin Shang , Yi He

Long-term time series forecasting is a long-standing challenge in various applications. A central issue in time series forecasting is that methods should expressively capture long-term dependency. Furthermore, time series forecasting…

Machine Learning · Computer Science 2024-11-06 Xingyu Zhang , Siyu Zhao , Zeen Song , Huijie Guo , Jianqi Zhang , Changwen Zheng , Wenwen Qiang

A versatile method is described for the practical computation of the discrete Fourier transforms (DFT) of a continuous function $g(t)$ given by its values $g_{j}$ at the points of a uniform grid $F_{N}$ generated by conjugacy classes of…

Mathematical Physics · Physics 2009-11-10 A. Atoyan , J. Patera

We consider the problem of inferring the interaction kernel of stochastic interacting particle systems from observations of a single particle. We adopt a semi-parametric approach and represent the interaction kernel in terms of a…

Statistics Theory · Mathematics 2025-10-31 Grigorios A. Pavliotis , Andrea Zanoni

Time-dependent orbital-free DFT is an efficient method for calculating the dynamic properties of large scale quantum systems due to the low computational cost compared to standard time-dependent DFT. We formalize this method by mapping the…

Chemical Physics · Physics 2021-06-09 Kaili Jiang , Michele Pavanello

This paper develops a quantitatively accurate first-principles description for the frequency and the linewidth of collective electronic excitations in inhomogeneous weakly disordered systems. A finite linewidth in general has intrinsic and…

Mesoscale and Nanoscale Physics · Physics 2009-11-07 C. A. Ullrich , G. Vignale

The Fourier transform of a bounded measurable function, $f$, on the real line is shown to be the second distributional derivative of a H\"older continuous function. The Fourier transform is written as the difference of $\int_{-1}^1…

Classical Analysis and ODEs · Mathematics 2026-01-26 Erik Talvila

Graph signal processing (GSP) advances spectral analysis on irregular domains. However, existing two-dimensional graph fractional Fourier transform (2D-GFRFT) employs a single fractional order for both factor graphs, thereby limiting its…

Signal Processing · Electrical Eng. & Systems 2025-10-14 Mingzhi Wang , Zhichao Zhang

Filtering of digital signals is accomplished on an Excel spreadsheet using fast Fourier transform (FFT) convolution in which the kernel is either a Gaussian or a cosine modulated Gaussian. Pedagogical examples of low-pass and band-pass…

General Physics · Physics 2007-05-23 Randall D. Peters

We use analytic (current) density-potential maps of time-dependent (current) density functional theory (TD(C)DFT) to inverse engineer analytically solvable time-dependent quantum problems. In this approach the driving potential (the control…

Quantum Physics · Physics 2016-06-01 Mehdi Farzanehpour , I. V. Tokatly

This article presents a convenient approach to Fourier analysis for the investigation of functions and distributions defined in $\mathbb{T}^m \times \mathbb{R}^n$. Our approach involves the utilization of a mixed Fourier transform,…

Analysis of PDEs · Mathematics 2025-02-19 André Pedroso Kowacs

We present an efficient method for propagating the time-dependent Kohn-Sham equations in free space, based on the recently introduced Fourier contour deformation (FCD) approach. For potentials which are constant outside a bounded domain,…

Chemical Physics · Physics 2023-07-10 Jason Kaye , Alex Barnett , Leslie Greengard , Umberto De Giovannini , Angel Rubio

Discrimination between non-stationarity and long-range dependency is a difficult and long-standing issue in modelling financial time series. This paper uses an adaptive spectral technique which jointly models the non-stationarity and…

Statistical Finance · Quantitative Finance 2019-02-12 Nick James , Roman Marchant , Richard Gerlach , Sally Cripps

Graph signal processing (GSP) leverages the inherent signal structure within graphs to extract high-dimensional data without relying on translation invariance. It has emerged as a crucial tool across multiple fields, including learning and…

General Mathematics · Mathematics 2025-02-21 Yu Zhang , Bing-Zhao Li