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Related papers: Compact Wannier Functions in One Dimension

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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

The construction of optimally localized Wannier functions (and Wannier functions in general) for a Chern insulator has been considered to be impossible owing to the fact that the second moment of such functions is generally infinite. In…

Materials Science · Physics 2024-04-12 Thivan M. Gunawardana , Ari M. Turner , Ryan Barnett

We define Wannier functions for interacting systems, and show that the results on the localization of the Wannier functions for non-interacting systems carry over to the Wannier functions for interacting systems. In addition we demonstrate…

Strongly Correlated Electrons · Physics 2009-11-07 Erik Koch , Stefan Goedecker

We investigate the Wightman function, the vacuum expectation values of the field square and the energy-momentum tensor for a scalar field with general curvature coupling parameter in $(D+1)$-dimensional de Sitter spacetime with an arbitrary…

High Energy Physics - Theory · Physics 2008-11-26 S. Bellucci , A. A. Saharian

We have developed a practical scheme to construct partly occupied, maximally localized Wannier functions (WFs) for a wide range of systems. We explain and demonstrate how the inclusion of selected unoccupied states in the definition of the…

Materials Science · Physics 2009-11-11 K. S. Thygesen , L. B. Hansen , K. W. Jacobsen

We have constructed maximally-localized Wannier functions for prototype structures of solid molecular hydrogen under pressure, starting from LDA and tight-binding Bloch wave functions. Each occupied Wannier function can be associated with…

Materials Science · Physics 2009-10-31 Ivo Souza , Richard M. Martin , Nicola Marzari , Xinyuan Zhao , David Vanderbilt

Some fixed point results are given for a class of functional contractions acting on (reflexive) triangular symmetric spaces. Technical connections with the corresponding theories over (standard) metric and partial metric spaces are also…

General Topology · Mathematics 2013-11-01 Mihai Turinici

Nonsymmorphic symmetries can enforce band connectivity that obstructs a single-band Wannier description. We show that a fractional translation $\mathcal{L}$ connecting distinct high-symmetry Wyckoff positions generically renders the Wannier…

Superconductivity · Physics 2026-01-06 Qinghua He , Jie Zhang , Shengdan Tao , Hai-yao Deng , Qifeng Liang , Wenlong Gao , Feng Liu

If we consider a sequence of warped product length spaces, what conditions on the sequence of warping functions implies compactness of the sequence of distance functions? In particular, we want to know when a subsequence converges to a well…

Differential Geometry · Mathematics 2024-09-12 Brian Allen , Bryan Sanchez , Yahaira Torres

Within this paper we outline a method able to generate truly minimal basis sets which describe either a group of bands, a band, or even just the occupied part of a band accurately. These basis sets are the so-called NMTOs, Muffin Tin…

Strongly Correlated Electrons · Physics 2009-09-29 Eva Zurek , Ove Jepsen , Ole K. Andersen

Topological phases, such as Chern insulators, are defined in terms of additive indices that are stable against the addition of trivial degrees of freedom. Such topology presents an obstruction to any Wannier representation, namely, the…

Mesoscale and Nanoscale Physics · Physics 2018-09-20 Hoi Chun Po , Haruki Watanabe , Ashvin Vishwanath

The Fourier coefficients of a smooth $K$-invariant function on a compact symmetric space $M=U/K$ are given by integration of the function against the spherical functions. For functions with support in a neighborhood of the origin, we…

Representation Theory · Mathematics 2010-02-23 Gestur Olafsson , Henrik Schlichtkrull

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

Commutators of a large class of bilinear operators and multiplication by functions in a certain subspace of the space of functions of bounded mean oscillations are shown to be jointly compact. Under a similar commutation, fractional…

Classical Analysis and ODEs · Mathematics 2013-10-16 Árpád Bényi , Wendolín Damián , Kabe Moen , Rodolfo H. Torres

Paley-Wiener type theorems describe the image of a given space of functions, often compactly supported functions, under an integral transform, usually a Fourier transform on a group or homogeneous space. Several authors have studied…

Representation Theory · Mathematics 2015-12-01 Vivian M. Ho , Gestur Olafsson

Non-trivial Chern classes pose an obstruction to the existence of exponentially decaying Wannier functions which provide natural bases for spectral subspaces. For non-trivial Bloch bundles, we obtain decay rates of Wannier functions in…

Mathematical Physics · Physics 2025-05-06 Simon Becker , Zhongkai Tao , Mengxuan Yang

Some zeta functions which are naturally attached to the locally homogeneous vector bundles over compact locally symmetric spaces of rank one are investigated. We prove that such functions can be expressed in terms of entire functions whose…

Number Theory · Mathematics 2016-05-02 M. Avdispahić , Dž. Gušić , D. Kamber

Localized Wannier functions provide an efficient and intuitive means by which to compute dielectric properties from first principles. They are most commonly constructed in a post-processing step, following total-energy minimization.…

Materials Science · Physics 2012-05-16 David D. O'Regan , Mike C. Payne , Arash A. Mostofi

Positive definite functions of compact support are widely used for radial basis function approximation as well as for estimation of spatial processes in geostatistics. Several constructions of such functions for ${\mathbb R}^d$ are based…

Classical Analysis and ODEs · Mathematics 2015-11-12 R. K. Beatson , W. zu Castell

Motivated by recent developments in quantum simulation of synthetic dimensions, e.g. in optical lattices of ultracold atoms, we discuss here $d$-dimensional periodic, gapped quantum systems for $d \le 4$, with focus on the topology of the…

Mathematical Physics · Physics 2023-02-06 Domenico Monaco , Thaddeus Roussigné