Related papers: Parseval frames of exponentially localized magneti…
We introduce a scheme for constructing partly occupied, maximally localized Wannier functions (WFs) for both molecular and periodic systems. Compared to the traditional occupied WFs the partly occupied WFs posses improved symmetry and…
In this paper we present calculations on the electronic band structure of a two-dimensional lateral superlattice subject to a perpendicular magnetic field by employing a projection operator technique based on the ray-group of…
We provide constructive necessary and sufficient conditions for a family of periodic wavelets to be a Parseval wavelet frame. The criterion generalizes unitary and oblique extension principles. The case of one wavelet generator and…
We construct Parseval wavelet frames in $L^2(M)$ for a general Riemannian manifold $M$ and we show the existence of wavelet unconditional frames in $L^p(M)$ for $1 < p <\infty$. This is made possible thanks to smooth orthogonal projection…
We outline an algorithm for construction of functional bases of absolute invariants under the rotation group for sets of rank 2 tensors and vectors in the Euclidean space of arbitrary dimension. We will use our earlier results for symmetric…
Gapped periodic quantum systems exhibit an interesting Localization Dichotomy, which emerges when one looks at the localization of the optimally localized Wannier functions associated to the Bloch bands below the gap. As recently proved,…
In this paper, we survey and refine several results -- some previously established in the literature -- that facilitate the construction of exponential bases on planar domains with explicit control over the associated frame bounds. We apply…
We have calculated the maximally-localized Wannier functions of MnO in its antiferromagnetic (AFM) rhombohedral unit cell, which contains two formula units. Electron Bloch functions are obtained with the linearized augmented plane-wave…
A quantum phase space with Wannier basis is constructed: (i) classical phase space is divided into Planck cells; (ii) a complete set of Wannier functions are constructed with the combination of Kohn's method and L\"owdin method such that…
We combine theoretical results from polytope domain meshing, generalized barycentric coordinates, and finite element exterior calculus to construct scalar- and vector-valued basis functions for conforming finite element methods on generic…
Miller et al. \cite{MPVX15} devised a distributed\footnote{They actually showed a PRAM algorithm. The distributed algorithm with these properties is implicit in \cite{MPVX15}.} algorithm in the CONGEST model, that given a parameter $k =…
We derive a multi-band formulation of the orbital magnetization in a normal periodic insulator (i.e., one in which the Chern invariant, or in 2d the Chern number, vanishes). Following the approach used recently to develop the single-band…
We consider periodic (pseudo)differential {elliptic operators of Schr\"odinger type} perturbed by weak magnetic fields not vanishing at infinity, and extend our previous analysis in \cite{CIP,CHP-2,CHP-4} to the case {of a semimetal having…
Maximally-localized Wannier functions (MLWFs) are widely employed as an essential tool for calculating the physical properties of materials due to their localized nature and computational efficiency. Projectability-disentangled Wannier…
We propose a general method of constructing Wannier functions in disordered systems directly out of energy eigenstates. This method consists of two successive operations: (i) a phase transformation setting the proper localization center;…
Wannier functions have become a powerful tool in the electronic structure calculations of extended systems. The generalized Pipek-Mezey Wannier functions exhibit appealing characteristics (e.g., reaching an optimal localization and the…
We observe stationary random tessellations $X=\{\Xi_n\}_{n\ge1}$ in $\mathbb{R}^d$ through a convex sampling window $W$ that expands unboundedly and we determine the total $(k-1)$-volume of those $(k-1)$-dimensional manifold processes which…
We consider a periodic Schroedinger operator and the composite Wannier functions corresponding to a relevant family of its Bloch bands, separated by a gap from the rest of the spectrum. We study the associated localization functional…
Frames in finite-dimensional vector spaces are spanning sets of vectors which provide redundant representations of signals. The Parseval frames are particularly useful and important, since they provide a simple reconstruction scheme and are…
We introduce a general framework for the construction of polynomial frames in $L^2(\mathbb{S}^{d-1})$, $d \geq 3$, where the frame functions are obtained as rotated versions of an initial sequence of polynomials $\Psi^j$, $j\in…