Related papers: Characteristic Basis Function Method Combined with…
We present a computational scheme to study spin excitations in magnetic materials from first principles. The central quantity is the transverse spin susceptibility, from which the complete excitation spectrum, including single-particle…
We present a machine learning algorithm for the prediction of molecule properties inspired by ideas from density functional theory. Using Gaussian-type orbital functions, we create surrogate electronic densities of the molecule from which…
We develop a preconditioner for the linear system arising from a finite element discretization of the Phase Field Crystal (PFC) equation. The PFC model serves as an atomic description of crystalline materials on diffusive time scales and…
Multiple scattering theory is applied to low-energy electron collisions with a complex target formed of two molecular scatterers. The total T-matrix is expressed in terms of the T-matrix for each isolated molecule. We apply the approach to…
A multilayered particle is illuminated by plane acoustic or electromagnetic waves of one or several frequencies. We consider the inverse scattering problem for the identification of the layers and of the refraction coefficients of the…
We consider a class of nonlinear Schr\"odinger equations with potential \[ i\partial_t u +\Delta u - Vu = \pm |u|^\alpha u, \quad (t,x) \in \mathbb{R} \times \mathbb{R}^3, \] where $\frac{4}{3}<\alpha<4$ and $V$ is a Kato-type potential. We…
Statistical modeling of high-dimensional matrix-valued data motivates the use of a low-rank representation that simultaneously summarizes key characteristics of the data and enables dimension reduction. Low-rank representations commonly…
The Helmholtz wave scattering problem by screens in 2D can be recast into first-kind integral equations which lead to ill-conditioned linear systems after discretization. We introduce two new preconditioners, in the form of square-roots of…
Recently, we have introduced a unified theory to deal with perturbative and non-perturbative QCD contributions to hadronic structure functions in deep inelastic scattering. This formulation is realized by combining the coordinate space…
It was recently demonstrated that the boundary element method based on the Burton-Miller formulation (BM-BEM), widely used for solving exterior problems, can be adapted to solve transmission problems efficiently. This approach utilises…
We generalize a simple Monte Carlo (MC) model for dilute gases to consider the transport behavior of positrons and electrons in Percus-Yevick model liquids under highly non-equilibrium conditions, accounting rigorously for coherent…
In this work we devise a theoretical and computational method to compute the elastic scattering of electrons from a non-spherical potential, such as in the case of molecules and molecular aggregates. Its main feature is represented by the…
The semiclassical Schr\"{o}dinger equation with multiscale and random potentials often appears when studying electron dynamics in heterogeneous quantum systems. As time evolves, the wavefunction develops high-frequency oscillations in both…
The purpose of this note is to prove the existence of a conformal scattering operator for the cubic defocusing wave equation on a non-stationary background. The proof essentially relies on solving the characteristic initial value problem by…
A multi-channel algebraic scattering theory, to find solutions of coupled-channel scattering problems with interactions determined by collective models, has been structured to ensure that the Pauli principle is not violated. Positive…
The elastic backward proton-deuteron scattering is analyzed within a fully covariant approach based on the invariant expansion of the reaction amplitude. The method of calculation of any observables for any reaction mechanism is developed.…
We offer a consistent dynamical formulation of stationary scattering in two and three dimensions that is based on a suitable multidimensional generalization of the transfer matrix. This is a linear operator acting in an infinite-dimensional…
The Calder\'on formulas (i.e., the combination of single-layer and hyper-singular boundary integral operators) have been widely utilized in the process of constructing valid boundary integral equation systems which could possess highly…
We investigate the eigenstructure of matrix formulations used for modeling scattering processes within materials in transmission electron microscopy. Dynamical scattering is crucial for describing the interaction between an electron wave…
A symmetric boundary integral formulation for the transient scattering of acoustic waves off homogeneous and isotropic elastic obstacles is analyzed. Both the acoustic scattered field and the elastodynamic excited field are represented…