Related papers: Numerical Analysis of the Multiple Scattering Theo…
Several models for the Monte Carlo simulation of Compton scattering on electrons are quantitatively evaluated with respect to a large collection of experimental data retrieved from the literature. Some of these models are currently…
The relative roles of multiple electron scattering and in-molecule free-space propagation in transmission electron microscopy of small molecules are discussed. It is argued that while multiple scattering tends to have only a moderate effect…
Quantum Monte Carlo methods are first-principle approaches that approximately solve the Schr\"odinger equation stochastically. As compared to traditional quantum chemistry methods, they offer important advantages such as the ability to…
We show how the expectation-maximization (EM) algorithm can be applied exactly for the fitting of mixtures of general multivariate skew t (MST) distributions, eliminating the need for computationally expensive Monte Carlo estimation. Finite…
The density of states for a finite or an infinite cluster of scatterers in the case of both electrons and photons can be represented in a general form as the sum over all Krein-Friedel contributions of individual scatterers and a…
The multilayer multiconfiguration time-dependent Hartree method is employed to study vibrationally coupled charge transport in models of single molecule junctions. To increase the efficiency of the simulation method, a representation of the…
In many applications, such as plasma edge simulation of a nuclear fusion reactor, a coupled PDE/kinetic description is required, which is usually solved with a coupled finite-volume/Monte-Carlo method. Different procedures have been…
A version of the projection method for solving the scattering problem for acoustic and electromagnetic waves is proposed and shown to be more efficient numerically than the earlier ones because the corresponding matrix is not…
A generalized contour deformation method (GCDM) which combines complex rotation and translation in momentum space, is discussed. GCDM gives accurate results for bound, virtual (antibound), resonant and scattering states starting with a…
A multiple scattering model of a quantum particle interacting with a random Lorentz gas of fixed point scatterers is established in an Euclidean space of arbitrary dimension. At the core of the model, the scattering amplitude for the point…
The problem of electromagnetic scattering by cylinders is an old problem that has been studied in many configurations. The present publication provides a theoretical study on a not yet investigated general case: the set of finite metallic…
We study one of multidimensional inverse scattering problems for quantum systems in a constant electric field, by utilization of the Enss-Weder time-dependent method. The main purpose of this paper is to propose some methods of sharpening…
Electromagnetic (EM) wave scattering by many parallel infinite cylinders is studied asymptotically as a tends to 0, where a is the radius of the cylinders. It is assumed that the centres of the cylinders are distributed so that their…
A microscopic theory of the transport in a scanning tunnelling microscope (STM) set-up is introduced for \pi-conjugated molecules on insulating films, based on the density matrix formalism. A key role is played in the theory by the energy…
The atomic-level structure of bulk metallic glasses is a key determinant of their properties. An accurate representation of amorphous systems in computational studies has traditionally required large supercells that are unfortunately…
The angular distribution function of multiple scattering experienced by 855 MeV electrons passing through an amorphous silicon plate and an oriented silicon crystal has been studied by means of relativistic molecular dynamics simulations…
A common way to simulate the transport and spread of pollutants in the atmosphere is via stochastic Lagrangian dispersion models. Mathematically, these models describe turbulent transport processes with stochastic differential equations…
BRST-methods provide elegant and powerful tools for the construction and analysis of constrained systems, including models of particles, strings and fields. These lectures provide an elementary introduction to the ideas, illustrated with…
The wave propagation in random medium plays a critical role in optics and quantum physics. Multiple scattering of coherent wave in a random medium determines the transport procedure. Brownian motions of the scatterers perturb each…
Methods exhibiting linear scaling with respect to the size of the system, so called O(N) methods, are an essential tool for the calculation of the electronic structure of large systems containing many atoms. They are based on algorithms…