Transition frequency shifts with fine-structure constant variation for Fe I and isotope-shift calculations in Fe I and Fe II

Porsev, S. G.; Kozlov, M. G.; Reimers, D.

doi:10.1103/physreva.79.032519

Cited by 20 publications

(30 citation statements)

References 27 publications

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“…The δσ FS values evaluated from (19) and using the experimental nuclear rms charge radius of Angeli [44] …”

Section: Beryllium-like Ionsmentioning

confidence: 99%

“…By summing the NMS and SMS contributions for the (13,12) and (14,12) [48], the almost perfect agreement between the two sets gives us confidence in our correlation models and computational strategy. The wavenumber field shifts have been estimated using (19) and taking the difference of the nuclear mean-square radii δ r 2 13,12 = −0.044 fm 2 and δ r 2 14,13 = 0.210 fm 2 from Angeli [44].…”

Section: Beryllium-like Ionsmentioning

confidence: 99%

“…The experimental value is 5.3% smaller than the theoretical values that lie however within the experimental error bars. Our FS value is evaluated using the formula (19) and the difference of nuclear rms δ r 2 40,36 = 0.2502 fm 2 . It also shows a nice consistency with the evaluation of Orts et al [52].…”

Section: Beryllium-like Ionsmentioning

confidence: 99%

“…Shabaev [13,14] and, in an independent way, Palmer [15], derived relativistic corrections to the mass shift. Since then several papers have shown the importance of relativistic effects on isotope shifts [16][17][18][19][20]. The development of experimental techniques allowing the accurate measurement of line IS enhances the need for accurate calculations of the relevant electronic parameters that account for both electron correlation and relativistic effects, especially for medium and heavy openshell atoms [21,22].…”

Section: Introductionmentioning

confidence: 99%

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Isotope shifts in beryllium-, boron-, carbon-, and nitrogen-like ions from relativistic configuration interaction calculations

Nazé

Verdebout

Rynkun

et al. 2014

Atomic Data and Nuclear Data Tables

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Energy levels, normal and specific mass shift parameters as well as electronic densities at the nucleus are reported for numerous states along the beryllium, boron, carbon, and nitrogen isoelectronic sequences. Combined with nuclear data, these electronic parameters can be used to determine values of level and transition isotope shifts. The calculation of the electronic parameters is done using first-order perturbation theory with relativistic configuration interaction wave functions that account for valence, core-valence and core-core correlation effects as zero-order functions. Results are compared with experimental and other theoretical values, when available.

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“…The δσ FS values evaluated from (19) and using the experimental nuclear rms charge radius of Angeli [44] …”

Section: Beryllium-like Ionsmentioning

confidence: 99%

Section: Beryllium-like Ionsmentioning

confidence: 99%

Section: Beryllium-like Ionsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Isotope shifts in beryllium-, boron-, carbon-, and nitrogen-like ions from relativistic configuration interaction calculations

Nazé

Verdebout

Rynkun

et al. 2014

Atomic Data and Nuclear Data Tables

View full text Add to dashboard Cite

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“…Shabaev and Artemyev [6] and, in an independent way, Palmer [7], derived these relativistic corrections to the mass shift. Since then several papers have shown the importance of such relativistic effects to the isotope shift [1,2,3,4,5].…”

Section: Introductionmentioning

confidence: 99%

ris3: A program for relativistic isotope shift calculations

Nazé

Gaidamauskas

Gaigalas

et al. 2013

Computer Physics Communications

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An atomic spectral line is characteristic of the element producing the spectrum. The line also depends on the isotope. The program ris3 (Relativistic Isotope Shift) calculates the electron density at the origin and the normal and specific mass shift parameters. Combining these electronic quantities with available nuclear data, isotope-dependent energy level shifts are determined.Keywords: Isotope shift, field shift, mass shift, normal mass shift, specific mass shift, relativistic nuclear recoil, nuclear radius The nuclear motion and volume effects are treated in first order perturbation theory. Taking the zero-order wave function in terms of a configuration state expansion |Ψ P JM J = µ c µ |Φ(γ µ P JM J ) , where P , J and M J are, respectively, the parity and angular quantum numbers, the electron density at the nucleus and the normal and specific mass shift parameters may generally be expressed as µ,ν c µ c ν γ µ P JM J |ϑ|γ ν P JM J where ϑ is the relevant operator. The matrix elements, in turn, can be expressed as sums over radial integrals multiplied by angular coefficients. All the angular coefficients are calculated using routines from grasp2K version 1 1 package [1]. NEW VERSION PROGRAM SUMMARY Reasons for the new version:This new version takes the nuclear recoil corrections into account within the (αZ) 4 m 2 /M approximation [2] and also allows a storage of the angular coefficients for a series of calculations within a given isoelectronic sequence. Furthermore, the program jj2lsj, a module of grasp2K version 1 1 toolkit that allows a transformation of ASFs from a jj-coupled CSF basis into an LSJ-coupled CSF basis, has been especially adapted to present ris3 results using LSJ labels of the states. This additional tool is called ris3 lsj. Summary of revisions:This version is compatible with the new angular approach of grasp2K version 1 1 package [1] and can store necessary angular coefficients. According to the formalism of the relativistic nuclear recoil, the "uncorrected" expression of the normal mass shift has been fundamentally modified compared with its expression in [3]. Restrictions:The complexity of the cases that can be handled is entirely determined by grasp2K package [1] used for the generation of the electronic wave functions. Unusual features: Angular data stored on disc and can be reused. LSJ labels are used for the states. Additional comments: ?? 2Running time:As an example, we evaluated the isotope shifts parameters and the electron density at the origin using the wave functions of Be-like system. We used MCDHF wave function built on a complete active space (CAS) with n = 8 (296 626 CSFs -62 orbitals) that contains 3 non-interacting blocks of given parity and J values involving 6 different eigenvalues in total. Calculations take around 10 hours on one AMD Opteron 6100 @ 2.3GHz CPU with 8 cores (64GB DDR3 RAM 1.333GHz). If angular files are available the time is reduced to 20 minutes. The storage of the angular data takes 139Mb and 7.2Gb for the one-body and the two-body elements, r...

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Tensorial form and matrix elements of the relativistic nuclear recoil operator

Gaidamauskas¹,

Nazé²,

Rynkun³

et al. 2011

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

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Within the lowest-order relativistic approximation (∼v 2 /c 2 ) and to first order in m e /M, the tensorial form of the relativistic corrections of the nuclear recoil Hamiltonian is derived, opening interesting perspectives for calculating isotope shifts in the multiconfiguration Dirac-Hartree-Fock framework. Their calculation is illustrated for selected Li-, B-and C-like ions. This work underlines the fact that the relativistic corrections to the nuclear recoil are definitively necessary for obtaining reliable isotope shift values.

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Transition frequency shifts with fine-structure constant variation for Fe I and isotope-shift calculations in Fe I and Fe II

Abstract: In this paper we calculated the relativistic corrections to transition frequencies ͑q factors͒ of Fe I for the transitions from the even-and odd-parity states to the ground state. We also carried out isotope-shift calculations in Fe I and Fe II.

Cited by 20 publications

References 27 publications

Isotope shifts in beryllium-, boron-, carbon-, and nitrogen-like ions from relativistic configuration interaction calculations

Isotope shifts in beryllium-, boron-, carbon-, and nitrogen-like ions from relativistic configuration interaction calculations

ris3: A program for relativistic isotope shift calculations

Tensorial form and matrix elements of the relativistic nuclear recoil operator

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