Related papers: Energy level structure and transition data of Er$^…
A sixth-order quadrupole boson Hamiltonian is used to describe 26 states $0^+$ and 67 states $2^+$ which have been recently identified in $^{168}Er$. Two closed expressions are alternatively used for energy levels. One corresponds to a…
Despite its apparently simple nature with four valence electrons, the strontium dimer constitutes a challenge for modern electronic structure theory. Here we focus on excited electronic states of Sr$_2$, which we investigate theoretically…
Band mixing calculations in rapidly rotating well-deformed nuclei are presented, investigating the properties of energy levels and rotational transitions as a function of excitation energy. Substantial fragmentation of E2 transitions is…
Recent advance in calculations of energy levels of the 1s2$l$2$l^{\prime}$ core-excited states for ions along the Li isoelectronic sequence from carbon to uranium suggested that theoretical predictions for the 1s2$l$2$l^{\prime}$…
The ground-state 4f fine-structure levels in the intrinsic optical transition gaps between the 2p and 5d orbitals of lanthanide sesquioxides (Ln2O3, Ln=La...Lu) were calculated by a two-way crossover search for the U parameters for DFT+U…
The ^1{\Sigma}^+ electronic ground states of MgLi^+ and CaLi^+ molecular ions are investigated for their spectroscopic constants and properties such as the dipole- and quadrupole moments, and static dipole polarizabilities. The quadrupole…
The electronic structures of substitutional rare-earth (RE) impurities in GaAs and cubic GaN are calculated. The total energy is evaluated with the self-interaction corrected local spin density approximation, by which several configurations…
Aims: To calculate transition rates from ground and excited states in neutral oxygen atoms due to electron collisions for non-LTE modelling of oxygen in late-type stellar atmospheres, thus enabling reliable interpretation of oxygen lines in…
Energy levels of the four lowest bands in 160,162,164Dy and 168Er, B(E2) transition strengths between the levels, and the B(M1) strength distribution of the ground state, all calculated within the framework of pseudo-SU(3) model, are…
Energies, transition rates, and electron electric dipole moment (EDM) enhancement factors are calculated for low-lying states of Ce IV and Pr V using relativistic many-body perturbation theory. This study is related to recent investigations…
We report the first results of ab initio relativistic correlation calculation of the effective electric field on the electron, E_eff, in the ground state of the HI$^+$ cation. This value is required for interpretation of the suggested…
The electronic structure of Ce2 is studied in a valence bond model with two 4f electrons localized at two cerium sites. It is shown that the low-lying energy spectrum of the simplest cerium chemical bond is determined by peculiarities of…
A general approach to calculate the diabatic surfaces for electron-transfer reactions is presented, based on first-principles molecular dynamics of the active centers and their surrounding medium. The excitation energy corresponding to the…
The electromagnetic energy equation is analyzed term by term in a 3D simulation of kinetic reconnection previously reported by \citet{vapirev2013formation}. The evolution presents the usual 2D-like topological structures caused by an…
The $\Delta$-Self-Consistent-Field ($\Delta$SCF) method has been established as an accurate and computationally efficient approach for calculating absolute core electron binding energies for light elements up to chlorine, but relatively…
Energies of ns[1/2] (n= 6-9), np[j] (n = 6-8), nd[j] (n= 6-7), and 5f[j] states in neutral Au and Au-like ions with nuclear charges Z = 80 - 83 are calculated using relativistic many-body perturbation theory. Reduced matrix elements,…
The total energies of twenty eight bound S-, P-, D-, F-, G-, H-, and I-states in the three-electron systems Li atom and Be+ ion, respectively, are determined with the use of the Configuration Interaction (CI) with Slater orbitals and L-S…
High-spin states in the transitional $^{217}$Ac nucleus are established up to 3.8 MeV excitation energy and $I^{\pi} =$ 41/2$^+$ with the addition of around 20 new transitions. The structure of the yrast and near-yrast states below the…
Accurate and extensive atomic data are essential for spectroscopic analyses of stellar atmospheres and other astronomical objects. We present energy levels, lifetimes, and transition probabilities for neutral nitrogen, the sixth most…
Using the polarisation labelling spectroscopy, we performed the detailed analysis of the level structure of excited electronic states of the $^{39}$KCs molecule in the excitation energy interval between 17500~cm$^{-1}$ and 18600~cm$^{-1}$…