Related papers: Construction of Wannier Functions in Disordered Sy…
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…
We propose a method to calculate wave functions and energies not only of the ground state but also of low-lying excited states using a deep neural network and the unsupervised machine learning technique. For systems composed of identical…
When using Wannier functions to study the electronic structure of multi-parameter Hamiltonians $H^{(\boldsymbol k,\bf \lambda)}$ carrying a dependence on crystal momentum $\boldsymbol k$ and an additional periodic parameter $\bf\lambda$,…
We propose a hybrid approach which employs the dynamical mean-field theory (DMFT) self-energy for the correlated, typically rather localized orbitals and a conventional density functional theory (DFT) exchange-correlation potential for the…
Localized states in one-dimensional open disordered systems and their connection to the internal structure of random samples have been studied. It is shown that the localization of energy and anomalously high transmission associated with…
The Wigner function for one and two-mode quantum systems is explicitely expressed in terms of the marginal distribution for the generic linearly transformed quadratures. Then, also the density operator of those systems is written in terms…
The paper presents the group theory of best localized and symmetry-adapted Wannier functions in a crystal of any given space group G or magnetic group M. Provided that the calculated band structure of the considered material is given and…
We provide a mathematically proven, simple and efficient algorithm to build localised Wannier functions, with the only requirement that the system has vanishing Chern numbers. Our algorithm is able to build localised Wannier for topological…
We propose a new, alternative method for ab-initio calculations of the electronic structure of solids, which has been specifically adapted to treat many-body effects in a more rigorous way than many existing ab-initio methods. We start from…
Superoscillating functions, i.e., functions that locally oscillate at a rate faster than their highest Fourier component, are of interest for applications from fundamental physics to engineering. Here, we develop a new method which allows…
We present an ab initio inelastic quantum transport approach based on maximally localized Wannier functions. Electronic-structure properties are calculated with density-functional theory in a planewave basis, and electron-vibration coupling…
We investigate from first principles the proposed destruction of the controversial eg' pockets in the Fermi surface of NaxCoO2 due to Na disorder, by calculating its k-dependent configurational averaged spectral function <A(k,w)>. To this…
Variational wave function ansatze are an invaluable tool to study the properties of strongly correlated systems. We propose such a wave function, based on the theory of auxiliary fields and combining aspects of auxiliary-field quantum Monte…
Recently developed neural network-based wave function methods are capable of achieving state-of-the-art results for finding the ground state in real space. In this work, a neural network-based method is used to compute excited states. We…
We introduce and study the Wannier functions for an electron moving in a plane under the influence of a perpendicular uniform and constant magnetic field. The relevance for the Fractional Quantum Hall Effect is discussed; in particular it…
We present a new mechanism for generating exponential hierarchies in four-dimensional field theories inspired by Anderson localization in one dimension, exploiting an analogy between the localization of electron energy eigenstates along a…
In the context of phase-space quantization, matrix elements and observables result from integration of c-number functions over phase space, with Wigner functions serving as the quasi-probability measure. The complete sets of Wigner…
In this work, we develop a theoretical description of the collective behavior of interacting dipolar planar rotors by using time independent perturbation theory and a small angle quadratic approximation. The ground state properties for both…
We analyze the ordering efficiency and the structure of disordered configurations for the zero-temperature Glauber model on Watts-Strogatz networks obtained by rewiring 2D regular square lattices. In the small-world regime, the dynamics…
Wannier functions that are maximally localized help in understanding many properties of crystalline materials. In the absence of topological obstructions, they are at least exponentially localized. In some cases such as flat-band…