相关论文: Full Potential Multiple Scattering for X-ray Spect…

Numerical simulations of waves in highly heterogeneous media have important applications, but direct computations are prohibitively expensive. In this paper, we develop a new generalized multiscale finite element method with the aim of…

A general polarizable embedded (PE) quantum mechanics/molecular mechanics scheme for periodic systems is presented, describing mutual polarization of the two subsystems. The QM system, described with density functional theory (DFT), is…

In this work, we develop a full-wave vectorial solution for the 2.5-dimensional (2.5-D), i.e., at oblique plane wave incidence, electromagnetic (EM) multiple scattering (MS) by a collection of gyrotropic cylinders. All cylinders are…

A multi-channel scattering problem is studied from a point of view of integral equations system. The system appears while natural one-particle wave function equation of the electron under action of a potential with non-intersecting ranges…

We apply Milne's phase-amplitude representation [W. E. Milne, Phys. Rev. 35, 863 (1930)] to a scattering problem involving disjoint classically allowed regions separated by a barrier. Specifically, we develop a formalism employing different…

The essential features of a full potential electronic structure method using Linear Muffin-Tin Orbitals (LMTOs) are presented. The electron density and potential in the this method are represented with no inherent geometrical approximation.…

The Ziegler-Rauk-Baerends multiplet sum method (MSM) assumes that density-functional theory (DFT) provides a good description of states dominated by a single determinant. It then uses symmetry to add static correlation to DFT. In our…

This thesis provides a pedagogical overview of the theoretical foundations of the McMule framework, a Monte Carlo integrator for processes with muons and other leptons. Among other things, we show how the simple infrared structure in QED…

In this work we present a variant of the fast multipole method (FMM) for efficiently evaluating standard layer potentials on geometries with complex coordinates in two and three dimensions. The complex scaled boundary integral method for…

We demonstrate a method that reduces the noise caused by multi-scattering (MS) photons in an \invivo optical coherence tomography image. This method combines a specially designed image acquisition (i.e., optical coherence tomography scan)…

We develop a general framework for estimating the $L_\infty(\mathbb{T}^d)$ error for the approximation of multivariate periodic functions belonging to specific reproducing kernel Hilbert spaces (RHKS) using approximants that are…

We compare the Frequency-Resolved Frozen Phonon Multislice (FRFPMS) method, introduced in Phys. Rev. Lett. 124, 025501 (2020), with other theoretical approaches used to account for the inelastic scattering of high energy electrons, namely…

We consider the three-dimensional time-harmonic electromagnetic (EM) wave scattering transmission problem involving heterogeneous scatterers. The fields are approximated using the local multiple traces formulation (MTF), originally…

A sampling method by using scattering amplitude is proposed for shape and location reconstruction in inverse acoustic scattering problems. Only matrix multiplication is involved in the computation, thus the novel sampling method is very…

This work proposes a mixed learning-based and optimization-based approach to the weighted-sum-rates beamforming problem in a multiple-input multiple-output (MIMO) wireless network. The conventional methods, i.e., the fractional programming…

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…

An implementation of the fast multiple method (FMM) is performed for magnetic systems with long-ranged dipolar interactions. Expansion in spherical harmonics of the original FMM is replaced by expansion of polynomials in Cartesian…

An integral equation-based numerical method for scattering from multi-dielectric cylinders is presented. Electromagnetic fields are represented via layer potentials in terms of surface densities with physical interpretations. The existence…

We report a novel microscopy platform, termed Multi-Aperture Fourier ptychographic microscopy (MA-FPM), capable of realizing gigapixel complex field images with large data acquisition bandwidths - in gigapixels per second. MA-FPM is a…

Scanning Electron Microscopy (SEM) is indispensable in modern materials science, enabling high-resolution imaging across a wide range of structural, chemical, and functional investigations. However, SEM imaging remains constrained by…