Related papers: Approximating Maximally Localized Wannier Function…
Functionals that strive to correct for such self-interaction errors, such as those obtained by imposing the Perdew-Zunger self-interaction correction or the generalized Koopmans' condition, become orbital dependent or orbital-density…
We propose Frank--Wolfe (FW) algorithms with an adaptive Bregman step-size strategy for smooth adaptable (also called: relatively smooth) (weakly-) convex functions. This means that the gradient of the objective function is not necessarily…
It is proved that for general, not necessarily periodic quasi one dimensional systems, the band position operator corresponding to an isolated part of the energy spectrum has discrete spectrum and its eigenfunctions have the same spatial…
Over the last decade, approximating functions in infinite dimensions from samples has gained increasing attention in computational science and engineering, especially in computational uncertainty quantification. This is primarily due to the…
We develop a wavelet like representation of functions in $L^p(\mathbb{R})$ based on their Fourier--Hermite coefficients; i.e., we describe an expansion of such functions where the local behavior of the terms characterize completely the…
Eigenvalues and eigenfunctions of Mathieu's equation are found in the short wavelength limit using a uniform approximation (method of comparison with a `known' equation having the same classical turning point structure) applied in Fourier…
Analytical solutions of the N-dimensional Schr\"odinger equation for the newly proposed Varshni-Hulth\'en potential are obtained within the framework of Nikiforov-Uvarov method by using Greene-Aldrich approximation scheme to the centrifugal…
Using techniques developed recently in the field of compressed sensing we prove new upper bounds for general (nonlinear) sampling numbers of (quasi-)Banach smoothness spaces in $L^2$. In particular, we show that in relevant cases such as…
Recent work has shown the surprising power of low-degree sandwiching polynomial approximators in the context of challenging learning settings such as learning with distribution shift, testable learning, and learning with contamination. A…
We prove generalised concentration inequalities for a class of scaled self-bounding functions of independent random variables, referred to as ${(M,a,b)}$ self-bounding. The scaling refers to the fact that the component-wise difference is…
In this paper, we consider the fundamental problem of approximation of functions on a low-dimensional manifold embedded in a high-dimensional space, with noise affecting both in the data and values of the functions. Due to the curse of…
Exactly solvable two-dimensional polygon models, counted by perimeter and area, are described by $q$-algebraic functional equations. We provide techniques to extract the scaling behaviour of these models up to arbitrary order and apply them…
Eigenfunctions of the fractional Schr\"odinger operators in a domain $\mathcal{D}$ are considered, and a relation between the supremum of the potential and the distance of a maximizer of the eigenfunction from $\partial\mathcal{D}$ is…
We construct new solvable rational and trigonometric spin models with near-neighbors interactions by an extension of the Dunkl operator formalism. In the trigonometric case we obtain a finite number of energy levels in the center of mass…
Eigenfunctions of 1d disordered Hamiltonian with constant imaginary vector potential are investigated. Even within the domain of complex eigenvalues the wave functions are shown to be strongly localized. However, this localization is of a…
We consider a randomization of a function on $\mathbb R^d$ that is naturally associated to the Wiener decomposition and, intrinsically, to the modulation spaces. Such randomized functions enjoy better integrability, thus allowing us to…
In this paper, we compute the eigenvalue problem (EVP) for the semiclassical random Schr\"odinger operators, where the random potentials are parameterized by an infinite series of random variables. After truncating the series, we introduce…
This paper develops a functional-analytic framework for approximating the push-forward induced by an analytic map from finitely many samples. Instead of working directly with the map, we study the push-forward on the space of locally…
We report a $k$-point extension of the second-order co-iterative augmented Hessian (CIAH) algorithm, termed $k$-CIAH, for Pipek-Mezey (PM) localization of Wannier functions (WFs). By exploiting an efficient evaluation of the Hessian-vector…
Asymptotic eigenvalues and eigenfunctions for the Orr-Sommerfeld equation in two and three dimensional incompressible flows on an infinite domain and on a semi-infinite domain are obtained. Two configurations are considered, one in which a…