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We propose a simple method for constructing POVMs using any set of matrices which form an orthonormal basis for the space of complex matrices. Considering the orthonormal set of irreducible spherical tensors, we examine the properties of…
We develop fast and memory efficient numerical methods for learning functions of many variables that admit sparse representations in terms of general bounded orthonormal tensor product bases. Such functions appear in many applications…
Exponentially-localized Wannier functions (ELWFs) are an orthonormal basis of the Fermi projection of a material consisting of functions which decay exponentially fast away from their maxima. When the material is insulating and crystalline,…
We propose a new toy model of a heteropolymer chain capable of forming planar secondary structures typical for RNA molecules. In this model the sequential intervals between neighboring monomers along a chain are considered as quenched…
The Wannier-Stark ladder (WSL) is a basic concept, supporting periodic oscillation, widely used in many areas of physics. In this paper, we investigate the formations of WSL in generalized systems, including strongly correlated and…
Maximally localized Wannier functions (MLWFs) are widely used to construct first-principles tight-binding models that accurately reproduce the electronic structure of materials. Recently, robust and automated approaches to generate these…
We investigate the persistance of embedded eigenvalues under perturbations of a certain self-adjoint Schr\"odinger-type differential operator in $L^2(\mathbb{R};\mathbb{R}^n)$, with an asymptotically periodic potential. The studied…
Orbital magnetic susceptibility involves rich physics such as interband effects despite of its conceptual simplicity. In order to appreciate the rich physics related to the orbital magnetic susceptibility, it is essential to derive a…
We present a general method of constructing maximally localized Wannier functions. It consists of three steps: (1) picking a localized trial wave function, (2) performing a full band projection, and (3) orthonormalizing with the Lowdin…
The theory for the generation of Wannier functions within the generalized Pipek--Mezey approach [Lehtola, S.; J\'onsson, H. J. Chem. Theory Comput. 2014, 10, 642] is presented and an implementation thereof is described. Results are…
Geometric decomposition is a widely used tool for constructing local bases for finite element spaces. For finite element spaces of differential forms on simplicial meshes, Arnold, Falk, and Winther showed that geometric decompositions can…
We provide a mathematically proven, simple and efficient algorithm to build localised Wannier functions, with the only requirement that the system has vanishing Chern numbers. Our algorithm is able to build localised Wannier for topological…
Adapting the recently developed randomized dyadic structures, we introduce the notion of spline function in geometrically doubling quasi-metric spaces. Such functions have interpolation and reproducing properties as the linear splines in…
Condensed matter physics increasingly focuses on exploiting the magnetic order parameter orientation n as a tuning knob for properties of collinear magnetic materials, but a general method for constructing effective Hamiltonians with…
We propose an efficient algorithm for the evaluation of the potential and its gradient of gravitational/electrostatic $N$-body systems, which we call particle mesh multipole method (PMMM or PM$^3$). PMMM can be understood both as an…
Wannier functions of the one dimensional Schroedinger equation with elliptic one gap potentials are explicitly constructed. Properties of these functions are analytically and numerically investigated. In particular we derive an expression…
We introduce a simple and efficient variation of the tangent-space excitation ansatz used to compute elementary excitation spectra of one-dimensional quantum lattice systems using matrix product states (MPS). A small basis for the…
A new method for the localization of crystalline orbitals for entangled energy bands is proposed. It is an extension of the Wannier-Boys algorithm [C. M. Zicovich-Wilson, R. Dovesi, and V. R. Saunders, J. Chem. Phys. 115, 9708 (2001)] which…
The paper gives a review of recent progress in the classification of monodromy-free Schr\"odinger operators with rational potentials. We concentrate on a class of potentials constituted by generalized Hermite polynomials. These polynomials…
In a previous paper [1] it was discussed the viability of functional analysis using as a basis a couple of generic functions, and hence vectorial decomposition. Here we complete the paradigm exploiting one of the analysis methodologies…