Related papers: On convolution for general novel fractional wavele…
Ubiquitous van der Waals (vdW) interactions play a subtle yet crucial role in determining the precise atomic arrangements in solids, particularly in molecular crystals where these weak forces are the primary link between constituent…
We describe a generalized formalism, addressing the fundamental problem of reflection and transmission of complex optical waves at a plane dielectric interface. Our formalism involves the application of generalized operator matrices to the…
Density functional theory (DFT) is shown to provide a novel conceptual and computational framework for entanglement in interacting many-body quantum systems. DFT can, in particular, shed light on the intriguing relationship between quantum…
It is shown that it is now possible to include van der Waals interactions via a nonempirical implementation of density functional theory to describe the correlation energy in electronic structure calculations on infinite systems of no…
Directional transforms have recently raised a lot of interest thanks to their numerous applications in signal compression and analysis. In this letter, we introduce a generalization of the discrete Fourier transform, called steerable DFT…
Symmetry learning has proven to be an effective approach for extracting the hidden structure of data, with the concept of equivariance relation playing the central role. However, most of the current studies are built on architectural theory…
The purpose of this text is to give a self-contained description of the basic theory of the projector augmented-wave (PAW) method, as well as most of the details required to make the method work in practice. These two topics are covered in…
We study the problem of constructing a graph Fourier transform (GFT) for directed graphs (digraphs), which decomposes graph signals into different modes of variation with respect to the underlying network. Accordingly, to capture low,…
Commuting integral and differential operators connect the topics of Signal Processing, Random Matrix Theory, and Integrable Systems. Previously, the construction of such pairs was based on direct calculation and concerned concrete special…
Properties of the wave function equivalent potentials introduced by HAL QCD collaboration are studied in a non-relativistic coupled-channel model. The derivative expansion is generalized, and then applied to the energy-independent and…
This paper concerns diffraction-tomographic reconstruction of an object characterized by its scattering potential. We establish a rigorous generalization of the Fourier diffraction theorem in arbitrary dimension, giving a precise relation…
A novel spherical convolution is defined through the sifting property of the Dirac delta on the sphere. The so-called sifting convolution is defined by the inner product of one function with a translated version of another, but with the…
In this paper, we propose two contributions to neural network based denoising. First, we propose applying separate convolutional layers to each sub-band of discrete wavelet transform (DWT) as opposed to the common usage of DWT which…
In this paper, some important properties of the windowed offset linear canonical transform (WOLCT) such as shift, modulation and orthogonality relation are introduced. Based on these properties we derive the convolution and correlation…
The graph fractional Fourier transform (GFRFT) applies a single global fractional order to all graph frequencies, which restricts its adaptability to diverse signal characteristics across the spectral domain. To address this limitation, in…
Using repeated Laplace transform, We find an analytical solution for DGLAP evolution equations for extracting the pion, kaon and proton Fragmentation Functions (FFs) at NLO approximation. We also study the symmetry breaking of the sea…
Equilibrium polyethylene crystal structure, cohesive energy, and elastic constants are calculated by density-functional theory applied with a recently proposed density functional (vdW-DF) for general geometries [Phys. Rev. Lett. 92, 246401…
We present a spin-dependent extension of the non-orthogonal generalized Wannier function (NGWF) formalism within the framework of linear-scaling density functional theory (LS-DFT) as implemented in the ONETEP code. In traditional LS-DFT…
In many network problems, graphs may change by the addition of nodes, or the same problem may need to be solved in multiple similar graphs. This generates inefficiency, as analyses and systems that are not transferable have to be…
We define the local trace function for subspaces of $\ltworn$ which are invariant under integer translation. Our trace function contains the dimension function and the spectral function defined by Bownik and Rzeszotnik and completely…