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We report a theoretical scheme that enables the calculation of maximally localized Wannier functions in the formalism of projector-augmented-waves (PAW) which also includes the ultrasoft-pseudopotential (USPP) approach. We give a…

Soft Condensed Matter · Physics 2007-05-23 Andrea Ferretti , Arrigo Calzolari , Benedetta Bonferroni , Rosa Di Felice

In insulators, the method of Marzari and Vanderbilt [Phys. Rev. B {\bf 56}, 12847 (1997)] can be used to generate maximally localized Wannier functions whose centers are related to the electronic polarization. In the case of layered…

Materials Science · Physics 2009-12-17 Xifan Wu , Oswaldo Diéguez , Karin M. Rabe , David Vanderbilt

Flying Networks (FNs) have emerged as a promising solution to provide on-demand wireless connectivity when network coverage is insufficient or the communications infrastructure is compromised, such as in disaster management scenarios.…

Networking and Internet Architecture · Computer Science 2025-03-19 Ruben Queiros , Megumi Kaneko , Helder Fontes , Rui Campos

In this article new bounds on weighted p-norms of ambiguity functions and Wigner functions are derived. Such norms occur frequently in several areas of physics and engineering. In pulse optimization for Weyl--Heisenberg signaling in…

Information Theory · Computer Science 2016-11-17 Peter Jung

This paper presents a windowed Green function (WGF) method for the numerical solution of problems of elastic scattering by "locally-rough surfaces" (i.e., local perturbations of a half space), under either Dirichlet or Neumann boundary…

Computational Physics · Physics 2021-02-03 Oscar P. Bruno , Tao Yin

Locating each node in a wireless sensor network is essential for starting the monitoring job and sending information about the area. One method that has been used in hard and inaccessible environments is randomly scattering each node in the…

Networking and Internet Architecture · Computer Science 2021-07-07 Saeed Ghadiri

The accurate prediction of band gaps and structural properties in periodic systems continues to be one of the central goals of electronic structure theory. However, band gaps obtained from popular exchange-correlation functionals (such as…

Materials Science · Physics 2022-03-18 Ravindra Shinde , Sharma S. R. K. C. Yamijala , Bryan M. Wong

This paper presents a method to improve the localization accuracy of robots operating in a range-based localization network. The method is favorable especially when the robots operate in harsh environments where the access to a robust and…

Robotics · Computer Science 2018-04-27 Saman Fahandezh-Saadi , Mark W. Mueller

Wannier90 is an open-source computer program for calculating maximally-localised Wannier functions (MLWFs) from a set of Bloch states. It is interfaced to many widely used electronic-structure codes thanks to its independence from the basis…

To obtain a local description from highly accurate density functional theory codes that are based on modified plane wave bases, a transformation to a local orthonormal Wannier function basis is required. In order to do so while enforcing…

Materials Science · Physics 2024-03-20 K. Koepernik , O. Janson , Yan Sun , J. van den Brink

We present a new scheme to include the van der Waals (vdW) interactions in approximated Density Functional Theory (DFT) by combining the Quantum Harmonic Oscillator model with the Maximally Localized Wannier Function technique. With respect…

Materials Science · Physics 2015-06-16 Pier Luigi Silvestrelli

Maximally-localised Wannier functions (MLWFs) are routinely used to compute from first-principles advanced materials properties that require very dense Brillouin zone integration and to build accurate tight-binding models for scale-bridging…

Computational Physics · Physics 2020-07-02 Valerio Vitale , Giovanni Pizzi , Antimo Marrazzo , Jonathan R. Yates , Nicola Marzari , Arash A. Mostofi

We consider a real periodic Schr\"odinger operator and a physically relevant family of $m \geq 1$ Bloch bands, separated by a gap from the rest of the spectrum, and we investigate the localization properties of the corresponding composite…

Mathematical Physics · Physics 2016-01-13 Domenico Fiorenza , Domenico Monaco , Gianluca Panati

We consider the problem of timely tracking of a Wiener process via an energy-conserving sensor by utilizing a single bit quantization strategy under periodic sampling. Contrary to conventional single bit quantizers which only utilize the…

Information Theory · Computer Science 2025-05-05 Ismail Cosandal , Sahan Liyanaarachchi , Sennur Ulukus

Localized bases play an important role in understanding electronic structure. In periodic insulators, a natural choice of localized basis is given by the Wannier functions which depend a choice of unitary transform known as a gauge…

Mathematical Physics · Physics 2021-02-24 Kevin D. Stubbs , Alexander B. Watson , Jianfeng Lu

Wireless sensor networks (WSNs) have recently gained a lot of attention by scientific community. Small and inexpensive devices with low energy consumption and limited computing resources are increasingly being adopted in different…

Networking and Internet Architecture · Computer Science 2013-12-17 Asma Mesmoudi , Mohammed Feham , Nabila Labraoui

Location information is a fundamental requirement for unmanned aerial vehicles (UAVs) and other wireless sensor networks (WSNs). However, accurately and efficiently localizing sensor nodes with diverse functionalities remains a significant…

Networking and Internet Architecture · Computer Science 2025-06-03 Ze Zhang , Qian Dong

In the advent of large-scale multi-hop wireless technologies, such as MANET, VANET, iThings, it is of utmost importance to devise efficient distributed protocols to maintain network architecture and provide basic communication tools. One of…

Distributed, Parallel, and Cluster Computing · Computer Science 2013-02-19 Tomasz Jurdzinski , Dariusz R. Kowalski , Tomasz Maciejewski , Grzegorz Stachowiak

While General Fractional Calculus has successfully expanded the scope of memory operators beyond power-laws, standard formulations remain predominantly restricted to the half-line via Riemann-Liouville or Caputo definitions. This constraint…

Functional Analysis · Mathematics 2026-01-16 Gustavo Dorrego

A new implementation is proposed for including van der Waals interactions in Density Functional Theory using the Maximally-Localized Wannier functions. With respect to the previous DFT/vdW-WF method, the present DFT/vdW-WF2 approach, which…

Strongly Correlated Electrons · Physics 2015-06-03 A. Ambrosetti , P. L. Silvestrelli
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