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Related papers: Atomic data benchmarked by Large-scale Multiconfig…

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Relativistic Hartree-Fock method together with many-body perturbation theory and configuration interaction techniques are used to calculate relativistic energy shifts for frequencies of the strong electric dipole transitions of C III, C IV,…

Atomic Physics · Physics 2007-10-26 I. M. Savukov , V. A. Dzuba

We present new atomic data (radiative transitions rates and collision strengths) from large scale calculations and a non-LTE spectral model for Fe III. This model is in very good agreement with observed astronomical emission spectra, in…

Atomic Physics · Physics 2015-05-19 Manuel A. Bautista , Connor P. Ballance , Pascal Quinet

The present work reports results from systematic multiconfiguration Dirac-Hartree-Fock calculations of electronic isotope shift factors for a set of transitions between low-lying states in neutral zinc. These electronic quantities together…

Atomic Physics · Physics 2017-10-18 Livio Filippin , Jacek Bieroń , Gediminas Gaigalas , Michel Godefroid , Per Jönsson

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…

Nuclear Theory · Physics 2021-04-27 S. Gmuca , K. Petrik , J. Leja

We report calculations of energy levels and radiative rates ($A$-values) for transitions in Cr-like Co IV and Ni V. The quasi-relativistic Hartree-Fock (QRHF) code is adopted for calculating the data although GRASP (general-purpose…

Atomic Physics · Physics 2016-01-20 K. M. Aggarwal , P. Bogdanovich , R. Karpuškienė , F. P. Keenan , R. Kisielius , V. Stancalie

The hyperfine interaction constants of the 2p4(3P)3p 2Do_{3/2,5/2}, 4Do_{1/2-7/2} and 4Po_{1/2-5/2} levels in neutral fluorine are investigated theoretically. Large-scale calculations are carried out using the multiconfiguration…

Atomic Physics · Physics 2015-06-16 Thomas Carette , Messaoud Nemouchi , Jiguang Li , Michel Godefroid

Microscopic methods and tools to describe nuclear dynamics have considerably been improved in the past few years. They are based on the time-dependent Hartree-Fock (TDHF) theory and its extensions to include pairing correlations and quantum…

Nuclear Theory · Physics 2018-09-13 C. Simenel , A. S. Umar

Precise calculations of the isotope shifts in berylliumlike thorium and uranium ions are presented. The main contributions to the field and mass shifts are calculated within the framework of the Dirac-Coulomb-Breit Hamiltonian employing the…

The relativistic multiconfiguration Dirac-Hartree-Fock (MCDHF) and the non-relativistic multiconfiguration Hartree-Fock (MCHF) methods have been employed to calculate the magnetic dipole and electric quadrupole hyperfine structure constants…

X-Ray transition energies and isotope shifts in heavy atoms are evaluated. The energy levels with vacancies in the inner shells are calculated within the approximation of the average of nonrelativistic configuration employing the…

Atomic Physics · Physics 2018-08-29 I. I. Tupitsyn , N. A. Zubova , V. M. Shabaev , G. Plunien , Th. Stoehlker

We present extensive calculations of radiative transition rates and electron impact collision strengths for Fe II. The data sets involve 52 levels from the $3d\,^7$, $3d\,^64s$, and $3d\,^54s^2$ configurations. Computations of $A$-values…

The self-energy of the Dirac Brueckner-Hartree-Fock calculation in nuclear matter is parametrized by introducing density-dependent coupling constants of isoscalar mesons in the relativistic Hartree-Fock (RHF) approach where isoscalar meson…

Nuclear Theory · Physics 2009-10-28 Hua-lin Shi , Bao-qiu Chen , Zhong-yu Ma

Level energies, wavelengths, electric dipole, magnetic dipole, electric quadrupole, and magnetic quadrupole transition rates, oscillator strengths, and line strengths from combined relativistic configuration interaction and many-body…

Aims. This work reports radiative transition rates and electron impact excitation collision strengths for levels of the 3s23p, 3s3p2, 3s24s, and 3s23d configurations of Siii. Methods. The radiative data were computed using the…

Astrophysics of Galaxies · Physics 2015-05-14 M. A. Bautista , P. Quinet , P. Palmeri , N. R. Badnell , J. Dunn , N. Arav

We perform relativistic configuration-interaction calculations of the energy levels of the low-lying and core-excited states of beryllium-like iron, Fe$^{22+}$. The results include the QED contributions calculated by two different methods,…

Atomic Physics · Physics 2015-06-22 V. A. Yerokhin , A. Surzhykov , S. Fritzsche

Traditional multiconfiguration Hartree-Fock (MCHF) and configuration interaction (CI) methods are based on a single orthonormal orbital basis (OB). For atoms with complicated shell structures, a large OB is needed to saturate all the…

Atomic Physics · Physics 2015-06-12 S. Verdebout , P. Rynkun , P. Jönsson , G. Gaigalas , C. Froese Fischer , M. Godefroid

Relativistic calculations of the isotope shifts of energy levels in highly charged Li-like ions are performed. The nuclear recoil (mass shift) contributions are calculated by merging the perturbative and large-scale…

The method of increments (MoI) allows one to successfully calculate cohesive energies of bulk materials with high accuracy, but it encounters difficulties when calculating whole dissociation curves. The reason is that its standard formalism…

Chemical Physics · Physics 2016-05-13 E. Fertitta , D. Koch , B. Paulus , G. Barcza , Ö. Legeza

Total electronic correlation correction to the binding energies of the isoelectronic series of Beryllium, Neon, Magnesium and Argon, are calculated in the framework of relativistic multiconfiguration Dirac-Fock method. Convergence of the…

A set of relativistic mean field models is constructed including the Hartree and Hartree-Fock approximation accounting for the exchange of isoscalar and isovector mesons as well as the pion. Density dependent coupling functions are…

Nuclear Theory · Physics 2011-09-02 E. N. E. van Dalen , H. Müther