相关论文: Proof that the maximally localized Wannier functio…
Quasiperiodic systems serve as fertile ground for studying localisation, due to their propensity already in one dimension to exhibit rich phase diagrams with mobility edges. The deterministic and strongly-correlated nature of the…
Wannier interpolation is a powerful tool for performing Brillouin zone integrals over dense grids of $\mathbf{k}$ points, which are essential to evaluate such quantities as the intrinsic anomalous Hall conductivity or Boltzmann transport…
In this paper, we address the random sampling problem for the class of Mellin band-limited functions BT which is concentrated on a bounded cube. It is established that any function in BT can be approximated by an element in a…
A high-throughput benchmarking technique for testing the performance of different exchange-correlation functionals and pseudopotentials is proposed and applied to bulk SnS. It is shown that, contrary to the popular view that the local…
We present an efficient first-principles approach for calculating Fermi surface averages and spectral properties of solids, and use it to compute the low-field Hall coefficient of several cubic metals and the magnetic circular dichroism of…
We describe and implement a first-principles algorithm based on maximally-localized Wannier functions for calculating the shift-current response of piezoelectric crystals in the independent-particle approximation. The proposed algorithm…
Sudderth, Wainwright, and Willsky have conjectured that the Bethe approximation corresponding to any fixed point of the belief propagation algorithm over an attractive, pairwise binary graphical model provides a lower bound on the true…
We prove a quantified Tauberian theorem for functions under a new kind of Tauberian condition. In this condition we assume in particular that the Laplace transform of the considered function extends to a domain to the left of the imaginary…
In this paper, local monomialization theorems are proven for analytic morphisms of complex and real analytic spaces. This gives the generalization of the local monomialization theorem for morphisms of algebraic varieties over a field of…
This paper extends earlier work on the definition of Wannier functions for Bloch electrons in a magnetic field. Extensions to irrational as well as rational magnetic fields are defined, and their properties investigated. The results are…
Complex Langevin dynamics can be used to perform numerical simulations of theories with a complex action. In order to justify the procedure, it is important to understand the properties of the real and positive distribution, which is…
The description of realistic strongly correlated systems has recently advanced through the combination of density functional theory in the local density approximation (LDA) and dynamical mean field theory (DMFT). This LDA+DMFT method is…
In this paper we consider Wannier functions of quasi-periodic g-gap ($g\geq 1$) potentials and investigate their main properties. In particular, we discuss the problem of averaging underlying the definition of Wannier functions for both…
We establish a first-principles theory of vacuum Wannier functions unifying tight-binding and nearly-free-electron descriptions across solid-vacuum interfaces. Analytic solutions for canonical Wannier functions in arbitrary dimension and…
A network is called localizable if the positions of all the nodes of the network can be computed uniquely. If a network is localizable and embedded in plane with generic configuration, the positions of the nodes may be computed uniquely in…
In this note we demonstrate that locally optimal functional quantizers for probability distributions on a Banach space lying in the support of $P$ behave exactly like globally optimal functional quantizers in terms of…
Quantum transport and localization are fundamental concepts in condensed matter physics. It is commonly believed that in one-dimensional systems, the existence of mobility edges is highly dependent on disorder. Recently, there has been a…
A space of entire functions of several complex variables rapidly decreasing on ${\mathbb R}^n$ and such that their growth along $i{\mathbb R}^n$ is majorized with a help of a family of weight functions is considered in the paper. For this…
We present a first-principles calculation of the electronic properties of crystalline silicon and gallium arsenide in a uniform electric field. Polarized Wannier-like functions which are confined in a finite region are obtained by…
We consider a Brownian motion (BM) $x(\tau)$ and its maximal value $x_{\max} = \max_{0 \leq \tau \leq t} x(\tau)$ on a fixed time interval $[0,t]$. We study functionals of the maximum of the BM, of the form ${\cal O}_{\max}(t)=\int_0^t\,…