Related papers: Spectroscopic LSJ notation for atomic levels obtai…
The exchange part of energy density of the linear Dirac--Hartree--Fock (DHF) model in symmetric nuclear matter is evaluated in a parameter--free closed form and expressed as density functional. After the rearranging terms the relativistic…
Recent advances in scanning transmission electron and scanning probe microscopies have opened exciting opportunities in probing the materials structural parameters and various functional properties in real space with angstrom-level…
Electronic structure methods for accurate calculation of molecular properties have a high cost that grows steeply with the problem size, therefore, it is helpful to have the underlying atomic basis functions that are less in number but of…
We derive a general relativistic Hamiltonian valid for both bound and scattering systems by reducing the four-component Dirac equation to a two-component Dirac-Pauli form. Unlike conventional approaches, our formulation includes first-order…
The performance of basis sets made of numerical atomic orbitals is explored in density-functional calculations of solids and molecules. With the aim of optimizing basis quality while maintaining strict localization of the orbitals, as…
We present here a formalism able to generalise to a relativistically covariant scheme the standard nuclear shell model. We show that, using some generalised nuclear Green's functions and their Lehmann representation we can define the…
Energy levels of highly charged ions as a rule cannot be classified using LS coupling due to rapid increase of relativistic effects. It is suggested, for optimal classification of energy spectra, to calculate them in LS coupling and to…
Core-level spectra of 1s electrons of elements heavier than Ne show significant relativistic effects. We combine advances in orbital optimized DFT (OO-DFT) with the spin-free exact two-component (X2C) model for scalar relativistic effects,…
Atomic-resolution imaging with scanning transmission electron microscopy is a powerful tool for characterizing the nanoscale structure of materials, in particular features such as defects, local strains, and symmetry-breaking distortions.…
The sparse dictionary coding framework represents signals as a linear combination of a few predefined dictionary atoms. It has been employed for images, time series, graph signals and recently for 2-way (or 2D) spatio-temporal data…
Accurate atomic physics reference data are a crucial requirement for analysis and interpretation of observed spectra, even more so for observations with high spectral resolution. This document provides a curated list of atomic physics…
The hot and dense strongly interacting matter created in collisions of heavy nuclei at RHIC energies is modeled with relativistic hydrodynamics, and the spectra of real and virtual photons produced at mid-rapidity in these events are…
We describe a method for deriving logarithmic corrections in the mass ratio to the S-level of a hydrogen-like atom. With this method, a number of new corrections of this type are calculated analitically for the first time.
Spectroscopic techniques are very essential tools in studying electronic structures, spectroscopic constants and energetic properties of diatomic molecules. These techniques are also required for parametrization of new method based on…
We show that the possibility to address and image single sites of an optical lattice, now an experimental reality, allows to measure the frequency-resolved local particle and hole spectra of a wide variety of one- and two-dimensional…
Large scale calculations for the energy levels, transition rates, oscillator strengths, hyperfine interaction constants, Land\'e g$_J$ factors and isotope shifts have been performed for $1s^2$ and $1snl \: (n=2-8 $ and $l \leq (n-1) )$…
A relativistic version of the effective charge model for computation of observable characteristics of multi-electron atoms and ions is developed. A complete and orthogonal Dirac hydrogen basis set, depending on one parameter -- effective…
We propose to introduce additional control in levitated optomechanics by trapping a meta-atom, i.e. a subwavelength and high-permittivity dielectric particle supporting Mie resonances. In particular, we theoretically demonstrate that…
This paper proposes a robust reduced-rank scheme for adaptive beamforming based on joint iterative optimization (JIO) of adaptive filters. The scheme provides an efficient way to deal with filters with large number of elements. It consists…
Atom probe tomography (APT) is a valuable near-atomic scale imaging technique, which yields mass spectrographic data. Experimental correctness can often pivot on the identification of peaks within a dataset, this is a manual process where…