Related papers: Upper Estimates for Electronic Density in Heavy At…

Methods for calculating an electron density of a periodic crystal constructed using non-orthogonal localised orbitals are discussed. We demonstrate that an existing method based on the matrix expansion of the inverse of the overlap matrix…

First-principle electronic structure calculations have been performed in crystalline complex phases mu-Al4Mn and lambda-Al4Mn using the TB-LMTO method. These atomic structures, related to quasicrystalline structures, contain about 560 atoms…

Electron density $\rho(\vec{r})$ is the fundamental variable in the calculation of ground state energy with density functional theory (DFT). Beyond total energy, features and changes in $\rho(\vec{r})$ distributions are often used to…

The calculation of the molecular column density from molecular spectral (rotational or ro-vibrational) transition measurements is one of the most basic quantities derived from molecular spectroscopy. Starting from first principles where we…

In this article we present an evaluation of the uncertainty in the average number of photoelectrons, which is important for the calibration of photodetectors. We show that the statistical uncertainty depends on light intensity, and on the…

At densities between 10^8 and 10^10} g/cm^3 electron capture in a presupernova collapse is believed to mainly occur on odd-odd nuclei. We have derived the rates for six of the most important electron capturing nuclei, {54,56,58}Mn and…

Excitation-energy distributions have been derived from measurements of 5.0-14.6 GeV/c antiproton, proton and pion reactions with $^{197}$Au target nuclei, using the ISiS 4$\pi$ detector array. The maximum probability for producing high…

In density functional theory, charge density is the core attribute of atomic systems from which all chemical properties can be derived. Machine learning methods are promising in significantly accelerating charge density prediction, yet…

Ongoing experimental efforts to measure with unprecedented precision electron-capture probabilities challenges the current theoretical models. The short range of the weak interaction necessitates an accurate description of the atomic…

Nuclear symmetry energy $E_{\rm{sym}}(\rho)$ at density $\rho$ is normally expanded or simply parameterized as a function of $\chi=(\rho-\rho_0)/3\rho_0$ in the form of $E_{\rm{sym}}(\rho)\approx…

In physics, it is sometimes desirable to compute the so-called \emph{Density Of States} (DOS), also known as the \emph{spectral density}, of a real symmetric matrix $A$. The spectral density can be viewed as a probability density…

The determination of the fractional electron abundance, Xe, in protostellar cores relies on observations of molecules, such as DCO+, H13CO+ and CO, and on chemical models to interpret their abundance. Studies of protostellar cores have…

Accurate charge densities are essential for reliable electronic structure calculations because they significantly impact predictions of various chemical properties and in particular, according to the Hellmann-Feynman theorem, atomic forces.…

Plasma walls accumulate electrons more efficiently than ions leading to wall potentials which are negative with respect to the plasma potential. Theoretically, walls are usually treated as perfect absorber for electrons and ions implying…

We present a method to calculate the electronic charge density of periodic solids in the GW approximation, using the space-time method. We investigate for the examples of silicon and germanium to what extent the GW approximation is…

A method is presented to derive electron temperatures and densities of planetary nebulae (PNe) simultaneously, using the observed hydrogen recombination spectrum, which includes continuum and line emission. By matching theoretical spectra…

The electronic density of states (DOS) quantifies the distribution of the energy levels that can be occupied by electrons in a quasiparticle picture, and is central to modern electronic structure theory. It also underpins the computation…

Muonic atom transitions have been measured for almost all stable nuclei to extract nuclear structure properties, including nuclear charge radii and quadrupole moment. To investigate the possibilities of extracting higher-order radial…

Based on large-scale shell model calculations we have determined the electron capture, positron capture and beta-decay rates on more than 100 nuclei in the mass range A=45-65. The rates are given for densities \rho Y_e =10^7-10^{10}…

Electron scattering will provide the most direct information about charge distribution in exotic nuclei. A technical proposal for an electron-heavy-ion collider has been incorporated in the GSI/Germany physics program (spokesperson: Haik…