Calibration of the isomer shift of129I

Spijkervet, W.J.J.; Pleiter, F.

doi:10.1007/bf01021511

Cited by 19 publications

(3 citation statements)

References 17 publications

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“…Calibration constants˛and fractional charge radii R/R for several Mössbauer nuclei are collected in Table 3 [107][108][109][110][111][112]. In determination of these parameters, the results of quantum chemical calculations of the contact densities (0) or partial contact densities n k (0) have been used in the interpretation of Mössbauer and internal conversion experiments.…”

Section: Isomer Shift Of 119 Sn and Other Mössbauer Nucleimentioning

confidence: 99%

First principles calculation of Mössbauer isomer shift

Filatov

2009

Coordination Chemistry Reviews

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Section: Isomer Shift Of 119 Sn and Other Mössbauer Nucleimentioning

confidence: 99%

First principles calculation of Mössbauer isomer shift

Filatov

2009

Coordination Chemistry Reviews

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“…To perform such tasks more consistently, a better source preparation technique (e.g. implantation), an independent identification of the chemical state (e.g., M6ssbauer effect) and ICC calculations for compounds will be necessary; for the recent researches of this kind, the readers are referred to [21] and [22].…”

Section: Discussionmentioning

confidence: 99%

Internal conversion of valence shell electrons: Measurement and analysis for the 10.84 keV transition in206Bi

et al. 1981

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Conversion electrons of the 10.84 keV transition in 2~were measured with the ironfree magnetic spectrometer. The conversion line of the valence shell was observed to be narrower than those of the inner ones. The computer program which optimizes the line profiles given numerically is outlined and used for the spectrum analysis. The studied transition was proved to be pure M1 with the nuclear structure parameter 2= 1.7_+0.7. The internal conversion coefficients were calculated using the relativistic Hartree-Fock model for neutral atoms as well as various isolated ions. Altogether, 15 different valence-shell configurations were considered. The prediction for the 6s2/2 configuration (Bi 3+) is in accord with the measured conversion intensities. This is consistent with probable chemical form Bi20 3 of bismuth atoms in the radioactive source.

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“…Thus, for 129 I one can find values from 0.3 × 10 −4 [30] to 7.2 × 10 −4 [31]. Most measurements cluster between 4 × 10 −4 and 5× 10 −4 [32][33][34][35][36][37][38]. We use the most up-to-date (to our knowledge) value, R/R = 4.3 × 10 −4 , reported by Hartmann and Winkler [39] and characterised by them as the best experimental data available.…”

Section: Computational Detailsmentioning

confidence: 99%

Relativistic coupled cluster calculation of Mössbauer isomer shifts of iodine compounds

et al. 2016

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Mössbauer isomer shifts of 129 I and 127 I in the ICl, IBr and I 2 molecules are studied. Filatov's formulation is used, based on calculating the electronic energy change of the two systems involved in the Mössbauer γ transition, the source and absorber. The energy difference between the transitions in the two systems determines the shift. The effects of relativity and electron correlation on the shifts are investigated. The exact two-component (X2C) and the four-component relativistic schemes give virtually identical results; the non-relativistic approach yields about 50% of the relativistic shifts. Electron correlation is included by coupled-cluster singles-and-doubles with perturbative triples [CCSD(T)]; it reduces Hartree-Fock shifts by 15%-20%. Basis sets are increased until the isomer shifts converge. The final results, calculated with the converged basis in the framework of the X2C Hamiltonian and CCSD(T) correlation, give an agreement of 10% or better with experimental data.

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Calibration of the isomer shift of129I

Cited by 19 publications

References 17 publications

First principles calculation of Mössbauer isomer shift

First principles calculation of Mössbauer isomer shift

Internal conversion of valence shell electrons: Measurement and analysis for the 10.84 keV transition in206Bi

Relativistic coupled cluster calculation of Mössbauer isomer shifts of iodine compounds

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