Ab InitioEnergy Levels, Oscillator Strengths, and Landég-Values forJ= 0, 1 States of Zr III and Nb IV

Beck, Donald R.; Pan, Lin

doi:10.1238/physica.regular.069a00091

Cited by 9 publications

(18 citation statements)

References 20 publications

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“…A recent ab inito calculation of this level by Pan and Beck [15] predicts 5s 2 1 S 0 to lie at 196 717 cm −1 . The agreement here is not as good as was obtained by these authors [16] for Zr III, where the calculated value of 48 712 cm −1 compared to the experimental value [7] of 48 507 cm −1 , and for Nb IV, where the calculated value of 116 826 cm −1 compared to the experimental value [8] of 116 921.51 cm −1 .…”

Section: Spectrum Analysiscontrasting

confidence: 70%

Spectrum and energy levels of quadruply-ionized molybdenum (Mo V)

Reader

Tauheed

2015

J. Phys. B: At. Mol. Opt. Phys.

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The spectrum of quadruply-ionized molybdenum Mo V was observed from 200 to 4700 Å with sliding spark discharges on 10.7 m normal- and grazing-incidence spectrographs. The existing analyses of this spectrum (Tauheed et al 1985 Phys. Scr. 31 369; Cabeza et al 1986 Phys. Scr. 34 223) were extended to include the 5s2, 5p2, 5s5d, 5s6s, 4d5f, and 4d5g configurations as well as the missing 3H6 level of 4d4f and about 75 levels of the core-excited configuration 4p54d3. The values of the 4d5d 1S0, 5s5p 1P1, and 4d6p 3P0 levels were revised. There are now about 900 lines classified as transitions between 66 even parity and 191 odd parity energy levels. Of these, about 600 lines and 130 levels are new. From the optimized energy level values, Ritz-type wavelengths were determined for about 380 lines, with uncertainties varying from 0.0003 to 0.002 Å. The observed configurations were theoretically interpreted by means of Hartree–Fock calculations and least-squares fits of the energy parameters to the observed levels. The fitted parameters were used to calculate oscillator strengths for all classified lines. A few unclassified lines and undesignated levels are also given. An improved value for the ionization energy was obtained by combining the observed energy of the 4d5g configuration with an ab initio calculation of its term value. The adopted value is 438 900 ± 150 cm−1 (54.417 ± 0.019 eV).

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Section: Spectrum Analysiscontrasting

confidence: 70%

Spectrum and energy levels of quadruply-ionized molybdenum (Mo V)

Reader

Tauheed

2015

J. Phys. B: At. Mol. Opt. Phys.

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“…Considering the uncertainty of the ab inito calculation, this is in excellent agreement with our experimental value of 116921.51 cm −1 . For Zr iii, the calculated [17] value of 48712 cm −1 compares to the experimental value of 48507 cm −1 , a similar discrepancy, but in the opposite direction.…”

Section: Spectrum Analysismentioning

confidence: 47%

“…However, since 5s 2 1 S 0 contains some admixture of 4d 2 1 S 0 , they can in fact be observed. A recent ab inito calculation of this level by Beck and Lin [17] predicts 5s 2 1 S 0 to lie at 116826 cm −1 . Considering the uncertainty of the ab inito calculation, this is in excellent agreement with our experimental value of 116921.51 cm −1 .…”

Section: Spectrum Analysismentioning

confidence: 88%

Spectrum and Energy Levels of Triply-Ionized Niobium (Nb IV)

Tauheed

Reader²

2005

Phys. Scr.

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The spectrum of triply-ionized niobium Nb IV was observed from 300 Å to 4100 Å with sliding spark discharges on 10.7-m normal- and grazing-incidence spectrographs. The existing analysis of this spectrum [Meinders, E. et al., Physica Scripta 25, 527 (1982).] was extended to include the 5s2, 5p2, 5s5d, 5s4f, 5s6s, 4d6d, 4d7s, 4d5f, 4d6f and 4d5g configurations, which are practically complete. A few levels of 4d7p and a few missing levels of the already known 4d4f configuration were also located. One level of the 4d6p configuration was revised. There are now a total of 840 lines classified as transitions between 185 energy levels. Of these, 546 lines and 107 levels are new. From the optimized energy level values, Ritz-type wavelengths with uncertainties varying from about 0.0005 Å to 0.003 Å were determined. The observed configurations were theoretically interpreted by means of Hartree-Fock calculations and least-squares fits of the energy parameters to the observed levels. The fitted parameters were used to calculate oscillator strengths for all classified lines. An improved value for the ionization energy was obtained from the 4dns(n = 4–6), 4dnf(n = 4–6), and 4d5g configurations. The adopted value is 303350 ± 180 cm-1 (37.611 ± 0.022 eV).

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“…The approach has also been tested in Zr III and Nb IV [21] by explicitly including some of the missing correlation (and reducing the amount of the shift correspondingly) without fundamentally changing the result. In Fe II 9/2 • , however, the two levels (z 2 G and y 4 F) are too close (∼75 cm −1 ) to to allow adjustment by means other than semi-empirical.…”

Section: Methodsmentioning

confidence: 99%

Ab InitioElectric Dipolefvalues for Fe II (3d⁶4s + 3d⁷)J= 9/2 → 3d⁶4pJ= 9/2 Transitions

Beck¹

2005

Phys. Scr.

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Ab InitioEnergy Levels, Oscillator Strengths, and Landég-Values forJ= 0, 1 States of Zr III and Nb IV

Abstract: Relativistic Configuration Interaction calculations are reported for Zr III and Nb IV J ¼ 0 ! J ¼ 1 transitions between 4d 2 þ 5s 2 and 4dð4f þ 5f þ 5pþ 6p þ 7pÞ þ 5s5p levels. Gauge agreements average 3%. Lande´g-values are obtained, and the 5s 2 level in Nb IV is repositioned.

Cited by 9 publications

References 20 publications

Spectrum and energy levels of quadruply-ionized molybdenum (Mo V)

Spectrum and energy levels of quadruply-ionized molybdenum (Mo V)

Spectrum and Energy Levels of Triply-Ionized Niobium (Nb IV)

Ab InitioElectric Dipolefvalues for Fe II (3d⁶4s + 3d⁷)J= 9/2 → 3d⁶4pJ= 9/2 Transitions

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Ab InitioEnergy Levels, Oscillator Strengths, and Landég-Values forJ= 0, 1 States of Zr III and Nb IV

Cited by 9 publications

References 20 publications

Spectrum and energy levels of quadruply-ionized molybdenum (Mo V)

Spectrum and energy levels of quadruply-ionized molybdenum (Mo V)

Spectrum and Energy Levels of Triply-Ionized Niobium (Nb IV)

Ab InitioElectric Dipolefvalues for Fe II (3d64s + 3d7)J= 9/2 → 3d64pJ= 9/2 Transitions

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Ab InitioElectric Dipolefvalues for Fe II (3d⁶4s + 3d⁷)J= 9/2 → 3d⁶4pJ= 9/2 Transitions