Multiconfiguration Dirac-Fock calculations on multi-valence-electron systems: Benchmarks on Ga-like ions

Hu, Feng; Yang, Jiamin; Wang, Chuanke; Jing, Longfei; Chen, Shubo; Jiang, Gang; Líu, Hao; Liu, Hao

doi:10.1103/physreva.84.042506

Cited by 28 publications

(14 citation statements)

References 41 publications

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“…For the ground term fine structure, the experimental data compilation for Z = 35 to 49 by Curtis and Reader [92], Reader et al [93], Litzén and Reader [94], Litzén and Zeng [95] and the semi-empirically adjusted computation by Biémont and Quinet [69] largely agree with each other; the combined dataset can be fitted by a polynomial and thus also extrapolated. For the quartet term, the computation by Biémont and Quinet [69] reaches up to Z = 49; their results can be augmented by other computational results for Z = 35 [96] (from MCDF calculations for Ge II through Nb XI)), Z = 47 [91] and Z = 53 [57]. The measurements, data compilations and extrapolations by atomic structure calculations (using the Cowan code with adjustable parameters) by Litzén, Reader and Zeng [94,95] reach from Rb (Z = 37) to In (Z = 49); they are reproduced by (adjusted) computations [66,69] to within 0.3% to 0.7% at the high-Z end of this range.…”

Section: Ga-like Ionsmentioning

confidence: 95%

“…Hu et al [96] have computed low-lying levels in relatively-low charge Ga-like ions, from Ge II to Nb XI. In the lighter ions, their 4s4p 2 4 P J levels differ from experiment by several percent, whereas for the 4s 2 4p 2 P o 3/2 -4s4p 2 4 P 5/2 transition wavelength in Zr X and Nb XI, the deviation is only 0.2%.…”

Section: Ga-like Ionsmentioning

confidence: 99%

“…Unfortunately, the experimental data for Z = 53 [56] are not accurate enough to mark a decisive trend. The various (ab initio) MCDF computations [57,96] scatter by several percent from each other. The curvatures of the isoelectronic trends of such computational results indicate that such computations converge better at higher values of Z.…”

Section: Ga-like Ionsmentioning

confidence: 99%

See 2 more Smart Citations

Intercombination Transitions in the n = 4 Shell of Zn-, Ga-, and Ge-Like Ions of Elements Kr through Xe

Santana

Quinet

Palmeri

2018

Atoms

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Earlier beam-foil measurements have targeted 4s-4p intercombination transitions in the Zn-, Ga- and Ge-like ions of Nb (Z=41), Mo (Z=42), Rh (Z=44), Ag (Z=47) and I (Z=53). At the time, the spectra were calibrated with literature data on prominent lines in the Cu- and Zn-like ions. Corresponding literature data on the intercombination transitions in Ga- and Ge-like ions were largely lacking, which caused some ambiguity in the line identifications. We review the (mostly computational) progress made since. We find that a consistent set of state-of-the-art computations of Ga- and Ge-like ions would be highly desirable for revisiting the beam-foil data and the former line identifications for the elements from Kr (Z=36) to Xe (Z=54). We demonstrate that the literature data for these two isoelectronic sequences are insufficient, and we contribute reference computations in the process. We discuss the option of electron beam ion trap measurements as an alternative to the earlier use of classical light sources, beam-foil interaction and laser-produced plasmas, with the example of Xe (Z=54).

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Section: Ga-like Ionsmentioning

confidence: 95%

Section: Ga-like Ionsmentioning

confidence: 99%

See 1 more Smart Citation

Intercombination Transitions in the n = 4 Shell of Zn-, Ga-, and Ge-Like Ions of Elements Kr through Xe

Santana

Quinet

Palmeri

2018

Atoms

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“…The similar calculation procedure has been introduced by one of our authors [25], here, we only give an outline. For Al-like ions, the ground and first excited configurations are 3s 2 3p, J = 1/2 and 3s3p 2 , respectively.…”

Section: Calculation Proceduresmentioning

confidence: 98%

Transition probabilities of the low-lying levels of Kr XXIV

Wang

Líu

et al. 2016

Atomic Data and Nuclear Data Tables

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“…Multiconfiguration Dirac-Fock calculations on multi-valence-electron systems have been also performed for Ga-like ions [9]. In addition, spectra of the gallium-like ions excited by low-inductance sparks and laser-produced plasmas were observed [10].…”

Section: Introductionmentioning

confidence: 99%

Atomic Data and Laser Transitions in as - Like Gallium

Refaie¹

2016

AJPA

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Abstract:Fine structure calculations of the energy levels, the wavelengths, the oscillator strengths, log gf and the transition probabilities for transitions among the terms belonging to 1s 2 2s 2 2p 6 3s 2 3p 6 3d 10 4s 2 ns, n=5-6, 1s 2 2s 2 2p 6 3s 2 3p 6 3d 10 4s 2 np, n=4-6, 1s 2 2s 2 2p 6 3s 2 3p 6 3d 10 4s 2 nd, n=4-6 and1s 2 2s 2 2p 6 3s 2 3p 6 3d 10 4s 2 nf, n=4-6 configurations of As (III) have been calculated using configurations interaction Cowan atomic structure code. Our calculated values for the above mentioned quantities have been compared with the corresponding experimental data and other theoretical calculations where a satisfactory agreement is found. We also report on some unpublished values for energy levels, oscillator strengths and transition probabilities for As like gallium. These atomic data are taken as the basis for studying laser transitions between levels of As(III). Excitation rate coefficients of As like gallium are calculated using the analytical formulas of Vriens and Smeets (1980) and with considering using the collisional radiative model code CRMO of Allam (2006). A simple modification to these formulas has been included by introducing effective quantum numbers. The energy values, the radiative data and rate coefficients are then used to calculate the population densities by solving the coupled rate equations. Among these calculations positive gain coefficients are found at three selected values of electron temperature, namely 7.087 eV, 14.147 eV and 21.261 eV which are displayed as a function of the electron impact density.

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Multiconfiguration Dirac-Fock calculations on multi-valence-electron systems: Benchmarks on Ga-like ions

Cited by 28 publications

References 41 publications

Intercombination Transitions in the n = 4 Shell of Zn-, Ga-, and Ge-Like Ions of Elements Kr through Xe

Intercombination Transitions in the n = 4 Shell of Zn-, Ga-, and Ge-Like Ions of Elements Kr through Xe

Transition probabilities of the low-lying levels of Kr XXIV

Atomic Data and Laser Transitions in as - Like Gallium

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