Related papers: Theoretical Calculations of Atomic Data for Spectr…
This paper discusses some features of the spectral line profile theory used in the treatment of measured atomic transitions. It is shown that going beyond the established linear approximation for the spectral line contour in the case of its…
Accurate quantum mechanics based predictions of property trends are so important for materials design and discovery that even inexpensive approximate methods are valuable. We use the Alchemical Integral Transform (AIT) to study…
The multiple scattering theory (MST) is one of the most widely used methods in electronic structure calculations. It features a perfect separation between the atomic configurations and site potentials, and hence provides an efficient way to…
Antineutrino spectra of fissile isotopes calculated using summation method being used to fit experimental spectra got in several experiments. Summation method was used with the possibility of changing individual spectrum shape of unknown…
In the nonrelativistic many-electron approximation of the theory of photoionization of the atom in the formalism of secondary quantization and the theory of irreducible tensor operators, analytical structures for the quadrupole transition…
Among all nuclear ground-state properties, atomic masses are highly specific for each particular combination of N and Z and the data obtained apply to a variety of physics topics. One of the most crucial questions to be addressed in mass…
We use the configuration interaction method and many-body perturbation theory to perform accurate calculations of energy levels, transition amplitudes, and lifetimes of low-lying states of barium and radium. Calculations for radium are…
Materials with bespoke properties have long been identified by computational searches, and their experimental realisation is now coming within reach through autonomous laboratories. Scattering experiments are central to verifying the atomic…
Vibrational spectroscopy is a powerful technique to characterize the near-equilibrium dynamics of molecules in the gas- and the condensed-phase. This contribution summarizes efforts from computer-based methods to gain insight into the…
We consider theoretically ionization of an atom by neutrino impact taking into account electromagnetic interactions predicted for massive neutrinos by theories beyond the Standard Model. The effects of atomic recoil in this process are…
By analyzing ``exact'' theoretical results from solving the time-dependent Schr\"odinger equation of atoms in few-cycle laser pulses, we established the general conclusion that differential elastic scattering and photo-recombination cross…
Harmonic oscillator model-space truncations introduce systematic errors to the calculation of binding energies and other observables. We identify the relevant infrared scaling variable and give values for this nucleus-dependent quantity. We…
We introduce a functional of the local spectral electron density which can be used to to compute the total energy and the local spectral function of strongly-correlated materials. We illustrate the applicability of the method by using as an…
Beginning with a historical account of the spectral classification, its refinement through additional criteria is presented. The line strengths and ratios used in two dimensional classifications of each spectral class are described. A…
In this review we present an overview of the current atom probe tomography spatial data reconstruction paradigm, and explore some of potential routes to improve the current methodology in order to yield a more accurate representation of…
Many estimation problems in astrophysics are highly complex, with high-dimensional, non-standard data objects (e.g., images, spectra, entire distributions, etc.) that are not amenable to formal statistical analysis. To utilize such data and…
The history is described of how one of the most commonly used electric circuit components, an ordinary electric contact, has become a powerful tool for the physicists to study various mechanisms of electron scattering in metals. The…
The methods of obtaining the average spectral shape in a low statistics regime are presented. Different approaches to averaging are extensively tested with simulated spectra, based on the ASCA responses. The issue of binning up the spectrum…
Statistical modeling of data sets by neural-network techniques is offered as an alternative to traditional semiempirical approaches to global modeling of nuclear properties. New results are presented to support the position that such novel…
Atom probe tomography is often introduced as providing "atomic-scale" mapping of the composition of materials and as such is often exploited to analyse atomic neighbourhoods within a material. Yet quantifying the actual spatial performance…