Related papers: Spherical-harmonic-analysis-based optimization of …
The analytic integration and simplification of multi-loop Feynman integrals to special functions and constants plays an important role to perform higher order perturbative calculations in the Standard Model of elementary particles. In this…
A standard objective in computer experiments is to approximate the behaviour of an unknown function on a compact domain from a few evaluations inside the domain. When little is known about the function, space-filling design is advisable:…
This paper is concerned with the analysis of time-harmonic electromagnetic scattering from plasmonic inclusions in the finite frequency regime beyond the quasi-static approximation. The electric permittivity and magnetic permeability in the…
A recently developed finite element approach for fully numerical atomic structure calculations [S. Lehtola, Int. J. Quantum Chem. 119, e25945 (2019)] is extended to the description of atoms with spherically symmetric densities via…
We develop a systematic framework for constructing spherical harmonics on the two-dimensional unit sphere as superpositions of Gaussian beams whose poles form well-separated point configurations. The distributional and analytic properties…
The article discusses the correctness of the assumption about the similarity of molecular continuum electron functions with wave functions in electron-atom scattering. The elastic scattering of slow particles by pair of non-overlapping…
A new method for elimination of the 'spurious' states comprising reguirement of translational invariance and simplicity of the enumeration scheme of antisymmetric A-particle states has been developed. The method presented enables one to…
The study explores machine learning methods for revealing chemical sensitivity in Helium spin-echo spectroscopy, in order to obtain ultra-sensitive surface analytic technique. We model bi-species co-adsorbed systems and demonstrate that by…
Spectral imaging is a method in medical x-ray imaging to extract information about the object constituents by the material-specific energy dependence of x-ray attenuation. Contrast-enhanced spectral imaging has been thoroughly investigated,…
We present the application of the spherically averaged continuum model to the evaluation of molecular photoelectron and resonant Auger electron spectra. In this model, the continuum wave function is obtained in a numerically efficient way…
This paper introduces the scaled boundary cubature (SBC) scheme for accurate and efficient integration of functions over polygons and two-dimensional regions bounded by parametric curves. Over two-dimensional domains, the SBC method reduces…
We propose a computationally lean, two-stage approach that reliably predicts self-assembly behavior of complex charged molecules on a metallic surfaces under electrochemical conditions. Stage one uses ab initio simulations to provide…
An efficient computational approach for imaging binary-type physical properties suitable for various models in biomedical applications is developed and validated. The proposed methodology includes gradient-based multiscale optimization with…
We construct simple analytic models of the $S$-matrix, accounting for both scattering resonances and smooth background contributions for collisions that occur below the s-wave threshold. Such models are important for studying…
Spin-weighted spheroidal harmonics play a central role in the mathematical description of diverse physical phenomena, including black-hole perturbation theory and wave scattering. We present a novel and compact derivation of the asymptotic…
Relativistic basis sets of quintuple-zeta quality are presented for the s-block elements. The basis sets include SCF exponents for the occupied spinors and for the np shell (the latter is considered here a valence orbital). Valence and core…
We study kernel quadrature rules with convex weights. Our approach combines the spectral properties of the kernel with recombination results about point measures. This results in effective algorithms that construct convex quadrature rules…
(Pseudo)spin symmetries play vital roles in nuclear physics and have been studied extensively in spherical nuclei. In this work, possible spin and pseudospin symmetries in deformed nuclei are examined by solving a coupled-channel Dirac…
The wave function of a spheroidal harmonic oscillator without spin-orbit interaction is expressed in terms of associated Laguerre and Hermite polynomials. The pairing gap and Fermi energy are found by solving the BCS system of two…
The numerical calculation of optical properties (extinction, absorption, scattering and polarisation efficiencies) is often time-consuming for non-spherical and inhomogeneous particles. Where possible analytical methods are therefore to be…