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We present an accurate and efficient formulation for the calculation of phonons in real-space Kohn-Sham density functional theory. Specifically, employing a local exchange-correlation functional, norm-conserving pseudopotential in the…

Chemical Physics · Physics 2023-03-30 Abhiraj Sharma , Phanish Suryanarayana

We provide one theorem of spectral equivalence of Koopman operators of an original dynamical system and its reconstructed one through the delay-embedding technique. The theorem is proved for measure-preserving maps (e.g. dynamics on compact…

Dynamical Systems · Mathematics 2017-06-06 Yoshihiko Susuki , Kyoichi Sako , Takashi Hikihara

We introduce a method that allows the evaluation of general expressions for the spectral functions of the one-dimensional Hubbard model for all values of the on-site electronic repulsion U. The spectral weights are expressed in terms of…

Strongly Correlated Electrons · Physics 2007-05-23 J. M. P. Carmelo , K. Penc

Koopman operators provide a linear framework for data-driven analyses of nonlinear dynamical systems, but their infinite-dimensional nature presents major computational challenges. In this article, we offer an introductory guide to Koopman…

Numerical Analysis · Mathematics 2025-10-28 Matthew J. Colbrook , Zlatko Drmač , Andrew Horning

Koopman operator, as a fully linear representation of nonlinear dynamical systems, if well-defined on a reproducing kernel Hilbert space (RKHS), can be efficiently learned from data. For stability analysis and control-related problems, it…

Systems and Control · Electrical Eng. & Systems 2025-11-11 Wentao Tang , Xiuzhen Ye

Stochastic reaction networks (SRNs) are a general class of continuous-time Markov jump processes used to model a wide range of systems, including biochemical dynamics in single cells, ecological and epidemiological populations, and queueing…

Molecular Networks · Quantitative Biology 2025-12-01 Ankit Gupta , Mustafa Khammash

Time series forecasting plays a vital role across scientific, industrial, and environmental domains, especially when dealing with high-dimensional and nonlinear systems. While Transformer-based models have recently achieved state-of-the-art…

Machine Learning · Computer Science 2025-08-05 Ali Forootani , Mohammad Khosravi , Masoud Barati

Probing optical excitations with nanometer resolution is important for understanding their dynamics and interactions down to the atomic scale. Electron microscopes currently offer the unparalleled ability of rendering spatially-resolved…

Quantum Physics · Physics 2020-07-16 Valerio Di Giulio , Mathieu Kociak , F. Javier García de Abajo

We present a mathematically rigorous quantum-mechanical treatment of a one-dimensional nonrelativistic quantum dual theories (with oscillator and Coulomb-like potentials) and compare their spectra and the sets of eigenfunctions. We…

Quantum Physics · Physics 2010-11-25 I. V. Tyutin , G. V. Grigoryan , R. P. Grigoryan

Functionals (i.e. functions of functions) are widely used in quantum field theory and solid-state physics. In this paper, functionals are given a rigorous mathematical framework and their main properties are described. The choice of the…

Mathematical Physics · Physics 2018-03-14 Christian Brouder , Nguyen Viet Dang , Camille Laurent-Gengoux , Kasia Rejzner

A new approach to data-driven discovery of Koopman eigenfunctions without a pre-defined set of basis functions is proposed. The approach is based on a reference trajectory, for which the Koopman mode amplitudes are first identified, and the…

Machine Learning · Computer Science 2025-12-01 David Grasev

We describe the dynamics of a single fermion in a dispersionless band coupled to the 2+1 dimensional conformal field theory (CFT) describing the quantum phase transition of a bosonic order parameter with N components. The fermionic spectral…

Strongly Correlated Electrons · Physics 2014-07-30 Andrea Allais , Subir Sachdev

We study single electron spectral functions in a quantum dimer model introduced by Punk, Allais and Sachdev (Ref. [1]). The Hilbert space of this model is spanned by hard-core coverings of the square lattice with two types of dimers:…

Strongly Correlated Electrons · Physics 2018-02-27 Sebastian Huber , Johannes Feldmeier , Matthias Punk

As a continuation of our previous work \cite{KV2} the aim of the recent paper is to investigate the solutions of special inhomogeneous linear functional equations by using spectral synthesis in translation invariant closed linear subspaces…

Complex Variables · Mathematics 2017-04-18 Gergely Kiss , Csaba Vincze

Spectral function is a key tool for understanding the behavior of Bose-Einstein condensates of cold atoms in random potentials generated by a laser speckle. In this paper we introduce a new method for computing the spectral functions in…

Bound states of hyperbolic potential is investigated by means of a generalized pseudospectral method. Significantly improved eigenvalues, eigenfunctions are obtained efficiently for arbitrary $n, \ell$ quantum states by solving the relevant…

Chemical Physics · Physics 2015-06-22 Amlan K. Roy

Koopman operator describes evolution of observables in the phase space, which could be used to extract characteristic dynamical features of a nonlinear system. Here, we show that it is possible to carry out interesting symbolic partitions…

Chaotic Dynamics · Physics 2020-07-23 Cong Zhang , Yueheng Lan

Spatial temporal reconstruction of dynamical system is indeed a crucial problem with diverse applications ranging from climate modeling to numerous chaotic and physical processes. These reconstructions are based on the harmonious…

Dynamical Systems · Mathematics 2025-05-13 Nishant Panda , Himanshu Singh , J. Nathan Kutz

We present an efficient first-principles approach for calculating Fermi surface averages and spectral properties of solids, and use it to compute the low-field Hall coefficient of several cubic metals and the magnetic circular dichroism of…

Materials Science · Physics 2009-11-13 Jonathan R. Yates , Xinjie Wang , David Vanderbilt , Ivo Souza

We compute the spectral form of the Koopman representation induced by a natural boolean action of $L^0(\lambda, {\mathbb T})$ identified earlier by the authors. Our computation establishes the sharpness of the constraints on spectral forms…

Dynamical Systems · Mathematics 2021-08-02 Justin Tatch Moore , Sławomir Solecki