相关论文: An unambiguous and robust formulation for Wannier …
In this work, we investigate conditions which ensure the existence of an exponentially localized Wannier basis for a given periodic hamiltonian. We extend previous results in [Pan07] to include periodic zero flux magnetic fields which is…
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.}…
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…
In this note we investigate local properties for microlocally symmetrizable hyperbolic systems with just time dependent coefficients. Thanks to Paley-Wiener theorem, we establish finite propagation speed by showing precise estimates on the…
We present a simple and general method for construction of localized orbitals to describe electronic structure of extended periodic metals and insulators as well as confined systems. Spatial decay of these orbitals is found to exhibit…
This article presents an optimization method to find the most spatially concentrated basis of a multimode fiber, obtained by minimizing the sum of the spatial spreads of the individual modes over all unitary transformations of a given…
This paper establishes suficient conditions for the orbital stability of one-parameter spatially periodic traveling-wave solutions for one-dimensional dispersive equations. Our method of proof combines known techniques with some new ideas.…
In molecular dynamics simulations under periodic boundary conditions, particle positions are typically wrapped into a reference box. For diffusion coefficient calculations using the Einstein relation, the particle positions need to be…
We present a new code to evaluate thermoelectric and electronic transport properties of extended systems with a maximally-localized Wannier function basis set. The semiclassical Boltzmann transport equations for the homogeneous infinite…
We propose a general analytical framework for single-facility continuous location problems under spatial demand uncertainty. In contrast to classical formulations based on discrete or regionally aggregated demands, the proposed model…
We consider solutions in frequency bands of dispersive equations on the line defined by Fourier multipliers, these solutions being considered as wave packets. In this paper, a refinement of an existing method permitting to expand…
In a tight-binding lattice model with $n$ orbitals (single-particle states) per site, Wannier functions are $n$-component vector functions of position that fall off rapidly away from some location, and such that a set of them in some sense…
We extend methods of Ding and Smart from their breakthrough paper in 2020 which showed Anderson localization for certain random Schr\"odinger operators on $\ell^2(\mathbb{Z}^2)$ via a quantitative unique continuation principle and Wegner…
We consider the spectral and dynamical properties of quantum systems of $n$ particles on the lattice $\Z^d$, of arbitrary dimension, with a Hamiltonian which in addition to the kinetic term includes a random potential with iid values at the…
We propose a new binary classification model called Phase Separation Binary Classifier (PSBC). It consists of a discretization of a nonlinear reaction-diffusion equation coupled with an Ordinary Differential Equation, and is inspired by…
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…
We address the challenge of sequential data-driven decision-making under context distributional uncertainty. This problem arises in numerous real-world scenarios where the learner optimizes black-box objective functions in the presence of…
The diffusion of chiral active Brownian particles in three-dimensional space is studied analytically, by consideration of the corresponding Fokker-Planck equation for the probability density of finding a particle at position…
We present a novel efficient implementation of the flexible boundary condition (FBC) method, initially proposed by Sinclair et al., for large single-periodic problems. Efficiency is primarily achieved by constructing a hierarchical matrix…
We have studied anomalous diffusion of a particle in a random medium in which the passage of the particle may modify the state of the visited sites. The simplicity of the dynamics allows analytic solution. Interesting propagation and…