Related papers: Locality properties and Wannier functions for inte…
As a first step towards a microscopic understanding of the effective interaction between colloidal particles suspended in a solvent we study the wetting behavior of one-component fluids at spheres and fibers. We describe these phenomena…
We consider density-density correlations in the one-dimensional Hubbard model at half filling. On intuitive grounds one might expect them to exhibit an exponential decay. However, as has been noted recently, this is not obvious from the…
The effect of non-locality in the NN interaction models is examined. It is shown that this feature can explain differences in predictions made from models evidencing a difference with this respect. This is done for both static and dynamical…
Over the years, several schemes have been proposed to describe multireference systems with Kohn-Sham Density Functional Theory. Problematic is the combination of two aspects: the Kohn-Sham reference wavefunction is usually taken to be a…
Although effective for two dimensional (2D) systems, some approximations may fail in describing the properties of one-dimensional (1D) models, which belong to a different universality class. In this paper, we analyze the adequacy of the…
We use the maximally-localized Wannier function method to study bonding properties in amorphous silicon. This study represents, to our knowledge, the first application of the Wannier-function analysis to a disordered system. Our results…
The Wigner-Smith (WS) time delay matrix relates a system's scattering matrix to its frequency derivative and gives rise to so-called WS modes that experience well-defined group delays when interacting with the system. For systems composed…
Density functional theory provides the most widespread framework for the realistic description of the electronic structure of solids, but the description of strongly-correlated systems has remained so far elusive. Here we consider a…
We explore a model of interacting dark energy where the dark energy density is related by the holographic principle to the Hubble parameter, and the decay of the dark energy into matter occurs at a rate comparable to the current value of…
The discovery of correlated states in moire materials has challenged the established methods of projecting interactions into a local Wannier basis due to topological obstructions that manifest in extended interactions. This difficulty can…
Engineering wear models are generally empirical and lack connections to the physical processes of debris generation at the nanoscale to microscale. Here, we thus analyze wear particle formation for sliding interfaces in dry contact with…
We develop a computational workflow for high-throughput Wannierization of density functional theory (DFT) based electronic band structure calculations. We apply this workflow to 1771 materials, and we create a database with the resulting…
Within a Dirac model in $1+1$ dimensions, a prototypical model to describe low-energy physics for a wide class of lattice models, we propose a field-theoretical version for the representation of Wannier functions, the Zak-Berry connection,…
Many systems in nature have arborescent and bifurcated structures such as trees, fern, snails, lungs, the blood vessel system, etc. and look self-similar over a wide range of scales. Which are the mechanical and dynamic properties that…
In this paper we localize some of Watanabe's results on fractional Wiener functionals, and use them to give a precise estimate of the difference between two Donsker's delta functionals even with fractional differentiability. As an…
An interacting lattice model describing the subspace spanned by a set of strongly-correlated bands is rigorously coupled to density functional theory to enable ab initio calculations of geometric and topological material properties. The…
The possibility of novel behavior at interfaces between strongly and weakly correlated materials has come under increased study recently. In this paper, we use determinant Quantum Monte Carlo to determine the inter-penetration of metallic…
Incorporating social interactions is essential to an accurate modeling of epidemic spreading. This work proposes a novel local mean-field density functional theory model by using the sum-of-exponential approximation of convolution kernels…
The electronic structure of solids can routinely be calculated by standard methods like density functional theory. However, in complicated situations like interfaces, grain boundaries or contact geometries one needs to resort to more…
We study the gap processes in a degenerate system of three particles interacting through their ranks. We obtain the Laplace transform of the invariant measure of these gaps, and an explicit expression for the corresponding invariant…