Systematic calculation of total atomic energies of ground state configurations

Rodrigues, G.; Indelicato, P.; Santos, J. P.; Patté, P.; Parente, F.

doi:10.1016/j.adt.2003.11.005

Cited by 178 publications

(138 citation statements)

References 44 publications

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“…We note that the NIST ionization energy uncertainties derived by Sugar & Corliss (1980) amount to a few units in the last digit of the quoted value, and are often of the order of the differences with FAC. Our results compare favourably with the systematic calculations of Rodrigues et al (2004), which are reported in the last columns of Table 2, in particular for Sc xviii and the lower ionization stages. However, in Rodrigues et al (2004) almost all the periodic table was investigated, precluding any peculiar improvements, while we performed some adjustments in choosing the levels to minimize on.…”

Section: Correspondence Between Fac and Nist Levelssupporting

confidence: 79%

“…Our results compare favourably with the systematic calculations of Rodrigues et al (2004), which are reported in the last columns of Table 2, in particular for Sc xviii and the lower ionization stages. However, in Rodrigues et al (2004) almost all the periodic table was investigated, precluding any peculiar improvements, while we performed some adjustments in choosing the levels to minimize on. The NIST database contains 820 levels 2 .…”

Section: Correspondence Between Fac and Nist Levelssupporting

confidence: 79%

“…This situation occurs generally for the ground configurations and the first few excited ones, obviously the most commonly observed experimentally, Notes. Ionization energies derived from Rodrigues et al (2004) are also given. Columns "diff" give the differences between our calculations or Rodrigues' ones and NIST values.…”

Section: Correspondence Between Fac and Nist Levelsmentioning

confidence: 99%

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Extensive spectroscopic data for multiply ionized scandium: Sc III to Sc XXI

Massacrier

Artru

2012

A&A

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Context. Spectroscopic data for scandium is sparse, while an extensive set is needed to introduce this element into stellar opacity calculations and, more importantly, into stellar models dealing with radiative diffusion. Aims. Our goal is to provide extensive energy levels and radiative transitions data for nineteen ionization stages of scandium relevant to stellar interiors, namely from Sc iii to Sc xxi. Methods. We used the FAC code. This code provides ab initio theoretical values for energy levels in j j-coupling and oscillator strengths of all permitted transitions. Detailed correspondences are established with compiled data from the National Institute of Standards and Technology (NIST) database, to locate as much as possible the observed levels and lines at their experimental values and to estimate the quality of our data. Comparison were also made with the spectroscopic data delivered by Kurucz. Results. The theoretical data retained in tables include 21 842 levels and more than two millions transtions. By comparison, the NIST compilation gives a total of 820 levels and 677 g f -values. The good agreement obtained when comparing the new data with those of the NIST compilation demonstrates their quality. This work on scandium shows that the FAC code is efficient in providing spectrocopic data that are unavailable from laboratory analyses but necessary for accurate simulations of stellar plasmas.

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Section: Correspondence Between Fac and Nist Levelssupporting

confidence: 79%

Section: Correspondence Between Fac and Nist Levelssupporting

confidence: 79%

Section: Correspondence Between Fac and Nist Levelsmentioning

confidence: 99%

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Extensive spectroscopic data for multiply ionized scandium: Sc III to Sc XXI

Massacrier

Artru

2012

A&A

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“…Many theoretical studies of transitions in N -like ions have been made during the past 2030 years, especially for electric-dipole (E1) transitions within the n = 2 complex of states. Energy levels, transition rates and oscillator strengths for N -like ions have been calculated using multi-conguration DiracFock (MCDF) [13], relativistic distorted-wave [4], the DiracFock (DF) approximation [5], and relativistic many-body perturbation theory (MBPT) combined with conguration interactions (CI) [6] methods. A correspondingly few of experimental studies of wavelengths of n = 2 states has been made using beam foil techniques [7,8].…”

Section: Introductionmentioning

confidence: 99%

Valence and Core-Valence Effects in N-Like Kr, Rb and Sr Ions

2015

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Energy levels, wavelengths, transition rates and line strengths are reported for the 2s 2 2p 3 2s2p 4 transition array in Kr(XXX), Rb(XXXI) and Sr(XXXII). Wave functions were determined using the multiconguration Dirac Fock method with account for valence and core-valence correlation eects. The present results are presented and compared with experimental data and with values from other calculations. The calculated values including corevalence correlation are in good agreement with other available theoretical and experimental values, and therefore can be used for the further astrophysical investigations.

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“…Cao and Dolg [6] represented the theoretical prediction of the second to fourth actinides ionization potentials. A systematic study of atomic binding energies, in the Dirac-Fock approximation, was performed for lithium to dubnium isoelectronic series by Rodrigues et al [7].…”

Section: Introductionmentioning

confidence: 99%

Energies and Electric Dipole Transitions for Low-Lying Levels of Protactinium IV and Uranium V

Ürer

Özdemir

2012

Zeitschrift Für Naturforschung A

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We have reported a relativistic multiconfiguration Dirac-Fock (MCDF) study on low-lying level structures of protactinium IV (Z = 91) and uranium V (Z = 92) ions. Excitation energies and electric dipole (E1) transition parameters (wavelengths, oscillator strengths, and transition rates) for these low-lying levels have been given. We have also investigated the influence of the transverse Breit and quantum electrodynamic (QED) contributions besides correlation effects on the level structure. A comparison has been made with a few available data for these ions in the literature.

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Systematic calculation of total atomic energies of ground state configurations

Cited by 178 publications

References 44 publications

Extensive spectroscopic data for multiply ionized scandium: Sc III to Sc XXI

Extensive spectroscopic data for multiply ionized scandium: Sc III to Sc XXI

Valence and Core-Valence Effects in N-Like Kr, Rb and Sr Ions

Energies and Electric Dipole Transitions for Low-Lying Levels of Protactinium IV and Uranium V

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