Related papers: Dielectric screening in extended systems using the…
Optimizing the performance of organic solar cells (OSCs) hinges on a comprehensive understanding of their nanostructures, yet traditional characterization methods often fall short, delivering incomplete structural snapshots. We introduce…
We present a Calder\'on preconditioning scheme for the symmetric formulation of the forward electroencephalographic (EEG) problem that cures both the dense discretization and the high-contrast breakdown. Unlike existing Calder\'on schemes…
A new computational algorithm, the discrete singular convolution (DSC), is introduced for computational electromagnetics. The basic philosophy behind the DSC algorithm for the approximation of functions and their derivatives is studied.…
We propose an approximation of nonlinear renewal equations by means of ordinary differential equations. We consider the integrated state, which is absolutely continuous and satisfies a delay differential equation. By applying the…
Dielectric screening plays an important role in reducing the strength of carrier scattering and trapping by point defects for many semiconductors such as the halide perovskite solar materials. However, it was rarely considered as a screen…
In this paper, we present a general methodology for investigating the linear stability of localized solutions in PDEs and nonlocal equations on $\mathbb{R}^m$. More specifically, we control the spectrum of the Jacobian…
We consider the nonlinear Helmholtz (NLH) equation describing the beam propagation in a planar waveguide with Kerr-like nonlinearity under non-paraxial approximation. By applying the Lie symmetry analysis, we determine the Lie point…
We present an easy-to-implement numerical method for analyzing electromagnetic wave propagation in dielectric rings. Our approach employs a finite-difference-based solver in cylindrical coordinates, solving a mixed electric-magnetic field…
We analyze the creation of spin squeezed atomic ensembles by simultaneous dispersive interactions with several optical frequencies. A judicious choice of optical parameters enables optimization of an interferometric detection scheme that…
We propose a new and easy-to-use method for identifying cointegrated components of nonstationary time series, consisting of an eigenanalysis for a certain non-negative definite matrix. Our setting is model-free, and we allow the…
Torquato and Kim [Phys. Rev. X 11, 296 021002 (2021)] derived exact nonlocal strong-contrast expansions of the effective dynamic dielectric constant tensor that treat general three-dimensional (3D) two-phase composites, which are valid well…
The idea of combining different two-dimensional (2D) crystals in van der Waals heterostructures (vdWHs) has led to a new paradigm for band structure engineering with atomic precision. Due to the weak interlayer couplings, the band…
The pseudospectral method is a powerful tool for finding highly precise solutions of Schr\"{o}dinger's equation for few-electron problems. We extend the method's scope to wave functions with non-zero angular momentum and test it on several…
The complex scaling method, which consists in continuing spatial coordinates into the complex plane, is a well-established method that allows to compute resonant eigenfunctions of the time-independent Schroedinger operator. Whenever it is…
Since in periodic systems, a given element may be present in different spatial arrangements displaying vastly different physical and chemical properties, an elemental basis set that is independent of physical properties of materials may…
Cryo-electron microscopy is a revolutionary technique that can provide 3D density maps at near-atomic resolution. However, map validation is still an open issue in the field. Despite several efforts from the community, it is possible to…
We formulate and implement a spectral method for solving the Schrodinger equation, as it applies to quasi-one-dimensional materials and structures. This allows for computation of the electronic structure of important technological materials…
In this article, we introduce a general theoretical framework to analyze non-consistent approximations of the discrete eigenmodes of a self-adjoint operator. We focus in particular on the discrete eigenvalues laying in spectral gaps. We…
We introduce an analytical framework to calculate the values of key observables in a strongly disordered discrete time crystal (DTC) without fitting parameter. The perturbatively obtained closed-form formulae show quantitative agreement…
We derive an automatic procedure for generating a set of highly localized, non-orthogonal orbitals for linear scaling quantum Monte Carlo calculations. We demonstrate the advantage of these orbitals in calculations of the total energy of…