相关论文: Extended calculations of energy levels and transit…

We present high-accuracy spectroscopy data of line strengths, transition probabilities and oscillator strengths for the allowed transitions among the $nS_{1/2}$, $nP_{1/2,3/2}$ and $n'D_{3/2,5/2}$ states with $n=5$ to $10$ and $n'=4$ to…

The magnetic, electronic, and optical properties of rare earth-oxides are directly influenced by the valency of the metallic cation. With the development of next generation electron energy-loss spectrometers, high-energy lanthanide fine…

Lattice dynamics and molecular dynamics studies of the oxides UO2 and Li2O in their normal as well as superionic phase are reported. Lattice dynamics calculations have been carried out using a shell model in the quasiharmonic approximation.…

We report Dirac-Fock calculations of transition energies for kaonic neon (KNe). For the most intense line, the 7-6 transition, the calculated energy is 9450.28 eV, which includes a bound-state QED (BSQED) contribution of 12.66 eV. This is…

Energies and lifetimes are reported for the lowest 136 levels of Fe XIV, belonging to the (1s$^2$2s$^2$2p$^6$) 3s$^2$3p, 3s3p$^2$, 3s$^2$3d, 3p$^3$, 3s3p3d, 3p$^2$3d, 3s3d$^2$, 3p3d$^2$ and 3s$^24\ell$ configurations. Additionally,…

The electric dipole transitions $\chi_{bJ}(1P)\to \gamma\Upsilon(1S)$ with $J=0,1,2$ and $h_{b}(1P)\to \gamma\eta_{b}(1S)$ are computed using the weak-coupling version of a low-energy effective field theory named potential non-relativistic…

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,…

Multiconfiguration Dirac-Hartree-Fock (MCDHF) and relativistic configuration interaction (RCI) calculations were performed for 28 and 78 states in neutral and singly ionized aluminium, respectively. In Al I, the configurations of interest…

Parametrizing energy functions for ionic systems can be challenging. Here, the total energy function for an eutectic system consisting of water, SCN$^-$, K$^+$ and acetamide is improved vis-a-vis experimentally measured properties. Given…

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}$…

We present a systematic theoretical study of the five smallest oligoacenes (naphthalene, anthracene, tetracene, pentacene, and hexacene) in their anionic,neutral, cationic, and dicationic charge states. We used density functional theory…

Extensive calculations of the electric-dipole matrix elements in alkali-metal atoms are conducted using the relativistic all-order method. This approach is a linearized version of the coupled-cluster method, which sums infinite sets of…

A systematic study of isotope chains in the rare--earth region is presented. For the chains (144-154)Nd, (146-160)Sm, (148-162)Gd, and (150-166)Dy, energy levels, E2 transition rates, and two--neutron separation energies are described by…

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…

Motivated by recent measurements for several alkali-metal atoms and alkali-metal-like ions, we perform a detailed study of electric dipole (E1) transition amplitudes in K, Ca+, Rb, Sr+, Cs, Ba+, Fr, and Ra+, which are of interest for…

It was recently shown that dielectronic recombination measurements can be used for accurately inferring changes in the nuclear mean-square charge radii of highly-charged lithium-like neodymium [Brandau et al., Phys. Rev. Lett. 100 073201…

Effective collision strengths for forbidden transitions among the 5 energetically lowest finestructure levels of O II are calculated in the Breit-Pauli approximation using the R-matrix method. Results are presented for the electron…

Spectra of levels and transition rates are calculated for the odd--odd particle--hole neutron excess nucleus $^{132}$In in the framework of the RPA approach.

Magnetic quadrupole and electric octupole transitions from the configurations $4p^54d^{N+1}$ and $4p^64d^{N-1}4f$ were calculated along with magnetic dipole, electric dipole and electric quadrupole radiative transitions in quasirelativistic…

All available experimental data on the spectrum of singly ionized carbon have been critically analyzed. Measurement uncertainties of all published studies have been re-assessed. The scope of observational data includes laboratory emission…