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Improving three-dimensional (3D) localization precision is of paramount importance for super-resolution imaging. By properly engineering the point spread function (PSF), such as utilizing Laguerre-Gaussian (LG) modes and their…

Quantum Physics · Physics 2023-12-25 Chenyu Hu , Liang Xu , Ben Wang , Zhiwen Li , Yipeng Zhang , Yong Zhang , Lijian Zhang

Sorting spatial optical modes is a key challenge that underpins many applications from super-resolved imaging to high-dimensional quantum key distribution. However, to date implementations of optical mode sorters only operate on specific…

Optics · Physics 2020-07-01 Hugo Defienne , Daniele Faccio

We present a new scheme for the construction of highly localized lattice Wannier functions. The approach is based on a heuristic criterion for localization and takes the symmetry constraints into account from the start. We compare the local…

Materials Science · Physics 2009-10-31 Jorge Iniguez , Alberto Garcia , J. M. Perez-Mato

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…

Computational Physics · Physics 2023-11-02 Junfeng Qiao , Giovanni Pizzi , Nicola Marzari

We present a method for obtaining well-localized Wannier-like functions (WFs) for energy bands that are attached to or mixed with other bands. The present scheme removes the limitation of the usual maximally-localized WFs method (N. Marzari…

Materials Science · Physics 2009-11-07 Ivo Souza , Nicola Marzari , David Vanderbilt

A development and an application of the localized function method based on the Galerkin method applying a set of Sine functions to approximate the unknown mode fields of the localized modes propagating along the photonic crystal fibres is…

Optics · Physics 2013-02-12 E. I. Karakoleva , B. S. Zafirova , A. T. Andreev

We discuss a method for determining the optimally-localized set of generalized Wannier functions associated with a set of Bloch bands in a crystalline solid. By ``generalized Wannier functions'' we mean a set of localized orthonormal…

Materials Science · Physics 2009-10-30 Nicola Marzari , David Vanderbilt

We present an automatized approach towards maximally localized Wannier functions (MLWFs) applicable to both occupied and unoccupied states. We overcome limitations of the standard optimized projection function (OPF) method and its…

Materials Science · Physics 2025-02-17 Sebastian Tillack , Claudia Draxl

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…

Other Condensed Matter · Physics 2017-01-11 Junbo Zhu , Zhu Chen , Biao Wu

We develop a novel technique to measure small angular and lateral displacements of structured light beams. The technique relies on using high-order Hermite-Gaussian (HG) and Laguerre-Gaussian (LG) modes, which have well-defined symmetry…

We investigate the interplay of band structure topology and localization properties of Wannier functions. To this end, we extend a recently proposed compressed sensing based paradigm for the search for maximally localized Wannier functions…

Mesoscale and Nanoscale Physics · Physics 2014-09-12 J. C. Budich , J. Eisert , E. J. Bergholtz , S. Diehl , P. Zoller

For the filtering of peaks in periodic signals, we specify polynomial filters that are optimally localized in space. The space localization of functions having an expansion in terms of orthogonal polynomials is thereby measured by a…

Numerical Analysis · Mathematics 2010-08-10 Wolfgang Erb

The electronic structure of solids can routinely be calculated by standard methods like density functional theory. However, in complicated situations like interfaces, grain boundaries or contact geometries one needs to resort to more…

Materials Science · Physics 2025-11-18 Henrik Dick , Thomas Dahm

A procedure to construct symmetry-adapted Wannier functions in the framework of the maximally-localized Wannier function approach[Marzari and Vanderbilt, Phys. Rev. B \textbf{56}, 12847 (1997); Souza, Marzari, and Vanderbilt, \textit{ibid.}…

Strongly Correlated Electrons · Physics 2015-06-16 R. Sakuma

In sufficiently strong scattering media, light transport is suppressed and modes are exponentially localized. Anderson-like localized states have long been recognized as potential candidate for high-Q optical modes for low-threshold, cost…

We study selective upconversion of optical signals according to their detailed transverse electromagnetic modes, and demonstrate its proof of operations in a nonlinear crystal. The mode selectivity is achieved by preparing the pump wave in…

Optics · Physics 2019-01-30 Santosh Kumar , He Zhang , Stephanie Maruca , Yu-Ping Huang

Improving axial resolution is of paramount importance for three-dimensional optical imaging systems. Here, we investigate the ultimate precision in axial localization using vortex beams. For Laguerre-Gauss beams, this limit can be achieved…

Quantum Physics · Physics 2021-03-09 D. Koutny , Z. Hradil , J. Rehacek , L. L. Sanchez-Soto

We introduce a new type of Wannier functions (WFs) obtained by minimizing the conventional spread functional with a penalty term proportional to the variance of the spread distribution. This modified Wannierisation scheme is less prone to…

Other Condensed Matter · Physics 2021-11-09 Pietro F. Fontana , Ask H. Larsen , Thomas Olsen , Kristian S. Thygesen

We present a robust algorithm that computes (maximally localized) Wannier functions (WFs) without the need of providing an initial guess. Instead, a suitable starting point is constructed automatically from so-called local orbitals which…

Materials Science · Physics 2020-07-01 Sebastian Tillack , Andris Gulans , Claudia Draxl

Maximally-localized Wannier functions are quantum wavefunctions resembling atomic orbitals that are used to describe electrons in condensed matter. Since their introduction in 1997, these functions have become ubiquitous in ab initio…

Computational Physics · Physics 2026-04-09 Sabyasachi Tiwari , Bruno Cucco , Viet-Anh Ha , Feliciano Giustino
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