Related papers: Directional short-time Fourier transform and direc…
We develop a method in which the electronic densities of small fragments determined by Kohn-Sham density functional theory (DFT) are embedded using stochastic DFT to form the exact density of the full system. The new method preserves the…
The well-known discrete Fourier transform (DFT) can easily be generalized to arbitrary nodes in the spatial domain. The fast procedure for this generalization is referred to as nonequispaced fast Fourier transform (NFFT). Various…
We study perturbations of random dynamical systems whose associated transfer operators admit a uniform spectral gap. We provide a $k^{\text{th}}$-order approximation for the invariant density of the associated random dynamical system. We…
We develop an alternative approach to the study of Fourier series, based on the Short-Time-Fourier Transform (STFT) acting on $L_{\nu }^{2}(0,1)$, the space of measurable functions $f$ in ${R}$, square-integrable in $ (0,1)$, and…
We give a detailed study of the discrete Fourier transform (DFT) of $r$-even arithmetic functions, which form a subspace of the space of $r$-periodic arithmetic functions. We consider the DFT of sequences of $r$-even functions, their mean…
Density functional theory (DFT) provides a theoretical framework for efficient and fairly accurate calculations of the electronic structure of molecules and crystals. The main features of density functional theory are described and DFT…
We compare the predictions of the dynamic structure factor (DSF) of ambient polycrystalline aluminium from time-dependent density functional theory (TDDFT) in the pair continuum regime to recent ultrahigh resolution x-ray Thomson scattering…
We present dynamic density functional theory (DDFT) incorporating general inhomogeneous, incompressible, time dependent background flows and inertia, describing externally driven passive colloidal systems out of equilibrium. We start by…
It is well known that the classical and Sobolev wave fronts were extended into non-equivalent global versions by the use of the short-time Fourier transform. In this very short paper we give complete characterisations of initial wave front…
We study distributional properties of a quadratic form of a stationary functional time series under mild moment conditions. As an important application, we obtain consistency rates of estimators of spectral density operators and prove joint…
Driven Langevin processes have appeared in a variety of fields due to the relevance of natural phenomena having both deterministic and stochastic effects. The stochastic currents and fluxes in these systems provide a convenient set of…
Let $\mu$ be a probability measure on $\mathbb{R}$. We give conditions on the Fourier transform of its density for functionals of the form $H(a)=\int_{\mathbb{R}^n}h(\langle a,x\rangle)\mu^n(dx)$ to be Schur monotone. As applications, we…
Deep-learning density functional theory (DFT) shows great promise to significantly accelerate material discovery and potentially revolutionize materials research. However, current research in this field primarily relies on data-driven…
Starting from Newton's equations of motion, we derive a dynamical density functional theory (DDFT) applicable to atomic liquids. The theory has the feature that it requires as input the Helmholtz free energy functional from equilibrium…
We present a dynamic density functional theory (dDFT) which takes into accou nt the advection of the particles by a flowing solvent. For potential flows we can use the same closure as in the absence of solvent flow. The structure of the…
Starting with exact solutions to string theory on curved spacetimes we obtain deformations that represent gravitational shock waves. These may exist in the presence or absence of sources. Sources are effectively induced by a tachyon field…
In this article we reconsider the problem of the propagation of waves in a random medium in a kinetic regime. The final aim of this program would be the understanding of the conditions which allow to derive a kinetic or radiative transfer…
The spatio-temporal dynamics of the deformation of a vibrated plate is measured by a high speed Fourier transform profilometry technique. The space-time Fourier spectrum is analyzed. It displays a behavior consistent with the premises of…
Stochastic density functional theory (sDFT) is becoming a valuable tool for studying ground state properties of extended materials. The computational complexity of describing the Kohn-Sham orbitals is replaced by introducing a set of random…
In this paper we define a new class of continuous fractional wavelet transform (CFrWT) and study its properties in Hardy space and Morrey space. The theory developed generalize and complement some of already existing results.