Related papers: Compact Formulae for Three-Center Nuclear Attracti…
Nuclear physics seeks to describe both bound and unbound states within a unified predictive framework. While coordinate-space Quantum Monte Carlo (QMC) methods have successfully computed bound states for systems with $A \leq 12$, their…
The electromagnetic responses obtained from Green's function Monte Carlo (GFMC) calculations are based on realistic treatments of nuclear interactions and currents. The main limitations of this method comes from its nonrelativistic nature…
Highly concentrated functions play an important role in many research fields including control system analysis and physics, and they turned out to be the key idea behind inverse Laplace transform methods as well. This paper uses the…
In exploratory factor analysis, rotation techniques are employed to derive interpretable factor loading matrices. Factor rotations deal with equality-constrained optimization problems aimed at determining a loading matrix based on measure…
We present quantitative means for assessing the numerical accuracy of static magnetic field calculations in finite-element models. Our calculations use the three-dimensional Opera simulation software suite of Dassault Syst`emes. Our need to…
As the calorimetric method of neutrino-energy reconstruction is generally considered to be largely insensitive to nuclear effects, its application seems to be an effective way for reducing systematic uncertainties in oscillation…
We implement an efficient method of computation of two dimensional Fourier-type integrals based on approximation of the integrand by Gaussian radial basis functions, which constitute a standard tool in approximation theory. As a result, we…
Implementation of Effective Core Potentials (ECPs) into the molecular scattering suite UKRmol+ is presented together with a set of calculations for a range of targets relevant for plasma modeling. Continuum description in scattering and…
In this study, we employ Euler's method and Richardson's extrapolation to solve a triple integral, which is then transformed into a third-order initial value problem. Our objective is to resolve the computational challenges associated with…
The study of isolated defects in solids is a natural target for classical or quantum embedding methods that treat the defect at a high level of theory and the rest of the solid at a lower level of theory. Here, in the context of…
Auxiliary matrix exponential method is used to derive simple and numerically efficient general expressions for the following, historically rather cumbersome and hard to compute, theoretical methods: (1) average Hamiltonian theory following…
In the standard "monoenergetic" approach to numerical calculation of stellarator neoclassical transport, to expedite computation, ad-hoc changes are made to the kinetic equation so speed enters only as a parameter. Here we examine the…
Compound nucleus effective moment of inertia has been calculated for several fission reaction systems induced by nucleons, light particles, and heavy ions. Determination of this quantity for these systems is based upon the comparison…
We review the simple linear muffin-tin orbital method in the atomic-spheres approximation and a tight-binding representation (TB-LMTO-ASA method), and show how it can be generalized to an accurate and robust Nth order muffin-tin orbital…
Modern particle physics is increasingly becoming a precision science that relies on advanced theoretical predictions for the analysis and interpretation of experimental results. The planned physics program at the LHC and future colliders…
We discuss the efficient computation of the auxiliary integrals that arise when resolutions of two-electron operators (specifically, the Coulomb and long-range Ewald operators) are employed in quantum chemical calculations. We derive a…
Several problems in magnetically confined fusion, such as the computation of exterior vacuum fields or the decomposition of the total magnetic field into separate contributions from the plasma and the external sources, are best formulated…
Path integral molecular dynamics simulations, combined with an ab initio evaluation of interactions using electronic structure theory, incorporate the quantum mechanical nature of both the electrons and nuclei, which are essential to…
We review three different approaches for the calculation of electromagnetic multipoles, namely the Cartesian primitive multipoles, the Cartesian irreducible multipoles and the spherical multipoles. We identify the latter as the best suited…
Contour integrals of rational functions over ${\cal M}_{0,n}$, the moduli space of $n$-punctured spheres, have recently appeared at the core of the tree-level S-matrix of massless particles in arbitrary dimensions. The contour is determined…