Related papers: Efficient extraction of resonant states in systems…
Methods for correcting residual energy errors of configuration interaction (CI) calculations of molecules and other electronic systems are discussed based on the assumption that the energy defect can be mapped onto atomic regions. The…
Following the global method for relaxation we prove an integral representation result for a large class of variational functionals naturally defined on the space of functions with Bounded Deformation. Mild additional continuity assumptions…
Eigenvalues of the Breit equation, in which only the static Coulomb potential is considered, have been found. Over the past decades several authors have analyzed the Breit equation to obtain numerically or by approximation an estimation of…
Computing phonons from first-principles is typically considered a solved problem, yet inadequacies in existing techniques continue to yield deficient results in systems with sensitive phonons. Here we circumvent this issue using the lone…
In electromagnetic simulations of magnets and machines one is often interested in a highly accurate and local evaluation of the magnetic field uniformity. Based on local post-processing of the solution, a defect correction scheme is…
In this paper we shall propose a simple scheme for calculating Green's functions for photons propagating in complex structured dielectrics or other photonic systems. The method is based on an extension of the finite difference time domain…
Many photonic devices, such as photonic crystal slabs, cross gratings, and periodic metasurfaces, are biperiodic structures with two independent periodic directions, and are sandwiched between two homogeneous media. Many applications of…
Bragg Coherent Diffraction Imaging (BCDI) is a powerful strain imaging tool, often limited by beam-induced sample instability for small particles and high power densities. Here, we devise and validate an adapted diffraction volume assembly…
A large toolbox of numerical schemes for dispersive equations has been established, based on different discretization techniques such as discretizing the variation-of-constants formula (e.g., exponential integrators) or splitting the full…
We introduce a new class of computationally tractable scattering problems in unbounded domains, which we call decomposable problems. In these decomposable problems, the computational domain can be split into a finite collection of…
Radiative corrections to an atom are calculated near a half-space that has arbitrarily-shaped small depositions upon its surface. The method is based on calculation of the classical Green's function of the macroscopic Maxwell equations near…
This paper presents three quantitative sampling methods for reconstructing extended sources of the biharmonic wave equation using scattered field data. The first method employs an indicator function that solely relies on scattered fields $…
The complex scaling method (CSM) is one of the most powerful methods of describing the resonances with complex energy eigenstates, based on non-Hermitian quantum mechanics. We present the basic application of CSM to the properties of the…
When described through a plane-wave basis set, the inclusion of exact nonlocal exchange in hybrid functionals gives rise to a singularity, which slows down the convergence with the density of sampled $k$ points in reciprocal space. In this…
Structured materials like photonic crystals require for optimal use a high precision both on position and optical characteristics of the components which they are made of. Here, we present a simple tomographic algorithm, based on a specific…
We show that invisible localized defects, i.e. defects that can not be detected by an outside observer, can be realized in a crystal with an engineered imaginary potential at the defect site. The invisible defects are synthesized by means…
This paper investigates an inverse source problem for space-time fractional diffusion equations from a posteriori interior measurements. The uniqueness result is established by the memory effect of fractional derivatives and the unique…
An exact path integral treatment of a particle in a deformed radial Rosen-Morse potential is presented. For this problem with the Dirichlet boundary conditions, the Green's function is constructed in a closed form by adding to V_{q}(r) a…
We investigate the resonant interaction between a deep-subwavelength particle and a perfectly conducting rectangular cavity, with potential applications in cavity classical and quantum electrodynamics and wave physics. The particle may…
This article presents a new high-order accurate algorithm for finding a particular solution to a linear, constant-coefficient partial differential equation (PDE) by means of a convolution of the volumetric source function with the Green's…