Related papers: Ionization potentials and electron affinity of oga…
There are several approximations to the exchange-correlation functional in density-functional theory that accurately predict total energy-related properties of many-electron systems, such as binding energies, bond lengths, and crystal…
We present results from integral field spectroscopy with the Potsdam multi-Aperture Spectrograph of the head of the Herbig-Haro object HH 202 with a spatial sampling of 1"x1". We have obtained maps of different emission lines, physical…
We report the general implementation of the relativistic equation-of-motion coupled-cluster method to calculate double ionization spectra (DI-EOMCC) of atomic and molecular systems. As a first application, this method is employed to…
Ionization energies for the ground state of berylliumlike ions with nuclear charge numbers in the range Z=16-96 are rigorously evaluated. The calculations merge the ab initio QED treatment in the first and second orders of the perturbation…
We present a detailed study of the ionisation probability of H and H$_{2}^{+}$ induced by a short intense laser pulse. Starting from a Coulomb-Volkov description of the process we derive a multipole-like expansion where each term is…
We analyze two-particle binding factors of H2, LiH, and HeH+ molecules/ions with the help of our original exact diagonalization ab intio (EDABI) approach. The interelectronic correlations are taken into account rigorously within the second…
We compute the ground-state electric dipole polarizability of group-IIIA ions using the perturbed relativistic coupled-cluster (PRCC) theory. To account for the relativistic effects and QED corrections, we use the Dirac-Coulomb-Breit…
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…
In this article, the molecular permanent electric dipole moments and components of static dipole polarizabilities for the electronic ground state of singly charged aluminum monohalides are reported. The coupled-cluster method by considering…
Relativistic close coupling calculations are reported for unified electronic recombination of (e + C IV) including non-resonant and resonant recombination processes, radiative and dielectronic recombination (RR and DR). Detailed comparison…
A benchmark study has been carried out on the ground-state potential curve of the hydroxyl anion, OH^{-}, including detailed calibration of both the 1-particle and n-particle basis sets. The CCSD(T) basis set limit overestimates $\omega_e$…
Advanced theoretical techniques that combine the linearized coupled-cluster method, configuration interaction method, and perturbation theory are used to calculate energy levels, ionization potentials, electron affinities, field isotope…
This work reports radiative transition rates and electron impact excitation rate coefficients for levels of the n= 3, 4, 5, 6, 7, 8 configurations of Ca II. The radiative data were computed using the Thomas-Fermi-Dirac central potential…
This paper considers a family of second-order periodic parabolic equations with highly oscillating potentials, which have been considered many times for the time-varying potentials in stochastic homogenization. Following a standard…
We calculate the nucleons' electromagnetic polarizabilities in heavy baryon chiral perturbation theory including all terms to order ${\cal O} (q^4)$. The chiral prediction of the electric polarizabilities for the neutron and the proton are…
The delta function gauge of the electromagnetic potential allows semiclassical formulas to be obtained for the probability of exciting a single electron out of the ground state in an ultrarelativistic heavy ion reaction. Exact formulas have…
Our all-electron fully relativistic Dirac-Fock (DF) and nonrelativistic (NR) Hartree-Fock (HF) SCF molecular calculations for the superheavy tetrahedral (T$_d$) oganesson tetratennesside OgT$_4$ predict atomization energy (Ae) of 7.45 and…
Relativistic calculations of the electronic structure of the superheavy element of the eighth period $-$ eka-francium ($Z=119$) and its homologues, which form the group of alkali metals, are performed in the framework of the…
The first adiabatic exponent profile, noted $\Gamma_1$, computed along adiabatic coordinates $(T, \rho)$ is in the focus of our study. Under conditions of almost fully ionized hydrogen and helium, the $\Gamma_1$ profile is quite sensitive…
The nuclear recoil effect on the $g$ factor of the ground state of highly charged B-like ions is studied to first order in the electron-to-nucleus mass ratio $m/M$. The leading one-electron and two-electron recoil contributions are…