| 71. |
- Radziute, Laima, et al.
(författare)
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Energy level structure of Er3+ free ion
- 2014
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Ingår i: Ninth International Conference on Atomic and Molecular Data and Their Applications: book of abstracts. ; , s. 91-91
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Konferensbidrag (övrigt vetenskapligt/konstnärligt)abstract
- Ab initio calculations for the Er3+ ion are performed using GRASP2K package, based on multiconfigurational Dirac-Hartree-Fock method (MCDHF). 41 energy levels of the [Xe]4f 11 con- figuration are calculated. The study includes different types of correlations using different strategies. The Breit interaction and leading QED effects are included as perturbations in all calculations. We present the results of the 10 lowest levels (see Table 1), obtained by single and double excitations corresponding to valence, core, and core-valence correlations. Levels are notated in the form (2S+1)L Nr J , where instead of the group labels νW U, single character ”numbers” Nr are used. Deviation of our values for energy levels from NIST database reaches 6.9%. Energy levels given at NIST are derived from the spectrum of Er3+ in LaF3 [1].
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| 72. |
- Radziute, Laima, et al.
(författare)
-
Energy level structure of the ground configuration in the Er3+ free ion
- 2015
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Ingår i: Physica Scripta. - : Bibliopolis, Edizioni di Filosofia e Scienze. - 0031-8949 .- 1402-4896. ; 90:5
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Tidskriftsartikel (refereegranskat)abstract
- Energy levels of the ground configuration [Xe]4f11 in the Er3+ ion are reported from relativistic configuration interaction calculations. Calculations are performed using the relativistic atomic structure package GRASP2K, which implements the multiconfiguration Dirac–Hartree–Fock method. The Breit transverse interaction and leading QED effects are included as perturbations. The final energies of 41 levels are compared with results from experiment and semi-empirical methods.
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| 73. |
- Radziute, Laima, et al.
(författare)
-
Extended calculations of level and transition properties in the nitrogen isoelectronic sequence : Cr XVIII, Fe XX, Ni XXII, and Zn XXIV
- 2015
-
Ingår i: Astronomy and Astrophysics. - : EDP Sciences. - 0004-6361 .- 1432-0746. ; 582
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Tidskriftsartikel (refereegranskat)abstract
- Extensive multiconfiguration Dirac-Hartree-Fock (MCDHF) calculations and relativistic configuration interaction (RCI) calculations are performed for 272 states of the 2s22p3, 2s2p4, 2p5, 2s22p23l, 2s2p33l, and 2p43l (l = 0, 1, 2) configurations in the nitrogen-like ions Cr XVIII, Fe XX, Ni XXII, and Zn XXIV. Valence, core-valence, and core-core electron correlation effects are accounted for through large configuration state function expansions. Calculated energy levels are compared with data from other calculations and with experimental data from the NIST database. Landé gJ -factors; hyperfine structures; isotope shifts; and radiative electric dipole (E1), electric quadrupole (E2), and magnetic dipole (M1) transition rates are given for all ions. The accuracy of the calculated energy levels is high enough to facilitate identification of observed spectral lines involving the 2l43l configurations, for which experimental data
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| 74. |
- Radziute, Laima, et al.
(författare)
-
Multiconfiguration Dirac-Hartree-Fock calculations of atomic electric dipole moments of 225Ra, 199Hg, and 171Yb
- 2014
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Ingår i: Physical Review A. Atomic, Molecular, and Optical Physics. - : American Physical Society. - 1050-2947 .- 1094-1622. ; 90
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Tidskriftsartikel (refereegranskat)abstract
- The multiconfiguration Dirac-Hartree-Fock method is employed to calculate atomic electric dipole moments in the ground states of 225Ra, 199Hg, and 171Yb. For the calculations of the matrix elements we extend the relativistic atomic structure package GRASP2K. The extension includes programs to evaluate matrix elements of PT -odd electron-nucleus tensor-pseudotensor and pseudoscalar-scalar interactions, the atomic electric dipole operator, the nuclear Schiff moment, and the interaction of the electron electric dipole moment with nuclear magnetic moments. The interelectronic interactions are accounted for through valence and core-valence electron correlation effects. The electron shell relaxation is included with separately optimized wave functions of opposite parities.
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| 75. |
- Radziute, Laima, et al.
(författare)
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Weak- and hyperfine-interaction-induced 1s2s 1S0-1s2 1S0 E1 transition rates of He-like ions
- 2015
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Ingår i: Chinese Physics B. - : Institute of Physics Publishing (IOPP). - 1674-1056. ; 24:4
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Tidskriftsartikel (refereegranskat)abstract
- Weak- and hyperfine-interaction-induced 1s2s 1S0 -1s2 1S0 E1 transition rates for the isoelectronic sequence of He-like ions have been calculated using the multiconfiguration Dirac–Hartree–Fock (MCDHF) and relativistic configuration interaction methods. The results should be helpful for the future experimental investigations of parity non-conservation effects.
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| 76. |
- Rynkun, Pavel, et al.
(författare)
-
Energies and E1, M1, E2, and M2 transition rates for states of the 2s22p3, 2s2p4, and 2p5 configurations in nitrogen-like ions between F III and Kr XXX
- 2014
-
Ingår i: Atomic Data and Nuclear Data Tables. - : Elsevier. - 0092-640X .- 1090-2090. ; 100:2, s. 315-402
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Tidskriftsartikel (refereegranskat)abstract
- Based on relativistic wavefunctions from multiconfiguration Dirac–Hartree–Fock and configuration interaction calculations, E1, M1, E2, and M2 transition rates, weighted oscillator strengths, and lifetimes are evaluated for the states of the (1s2)2s22p3, 2s2p4, and 2p5 configurations in all nitrogen-like ions between F III and Kr XXX. The wavefunction expansions include valence, core–valence, and core–core correlation effects through single–double multireference expansions to increasing sets of active orbitals. The computed energies agree very well with experimental values, with differences of only 300–600 cm−1 for the majority of the levels and ions in the sequence. Computed transitions rates are in close agreement with available data from MCHF-BP calculations by Tachiev and Froese Fischer [G.I. Tachiev, C. Froese Fischer, A&A 385 (2002) 716].
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| 77. |
- Rynkun, Pavel, et al.
(författare)
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Energies and E1, M1, E2, and M2 transition rates for states of the 2s22p4, 2s2p5, and 2p6 configurations in oxygen-like ions between F II and Kr XXIX
- 2013
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Ingår i: Astronomy and Astrophysics. - : EDP Sciences. - 0004-6361 .- 1432-0746. ; A136:557
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Tidskriftsartikel (refereegranskat)abstract
- Based on relativistic wave functions from multiconfiguration Dirac-Hartree-Fock and configuration interaction calculations, E1, M1, E2, M2 transition rates, weighted oscillator strengths, and lifetimes are evaluated for the states of the (1s2)2s22p4, 2s2p5, and 2p6 configurations in all oxygen-like ions between F II and Kr XXIX. Valence and core-valence correlation effects were accounted for through single-double multireference (SD-MR) expansions to increasing sets of active orbitals. Computed energies are compared with the NIST recommended values, generally differing by less than 600 cm−1. For some spectra, significantly larger differences are found and our results are in better agreement with Edlén interpolated values. For levels where experimental lifetimes are available, the agreement is within experimental uncertainty for all but a few lowly ionized spectra. Complete Online tables of energy levels and transition data are available.
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| 78. |
- Rynkun, Pavel, et al.
(författare)
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Energies and E1, M1, E2, M2 transition rates for states of the 2s22p, 2s2p2, and 2p3 configurations in boron-like ions between N III and Zn XXVI
- 2012
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Ingår i: Atomic Data and Nuclear Data Tables. - : Elsevier. - 0092-640X .- 1090-2090. ; 98:4, s. 481-556
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Tidskriftsartikel (refereegranskat)abstract
- Energies, E1, M1, E2, M2 transition rates, line strengths, oscillator strengths, and lifetimes from relativistic con guration interaction calculations are reported for the states of the (1s2)2s22p; 2s2p2, and 2p3 con gurations in all boron-like ions between N III and Zn XXVI. Valence, core-valence, and core-core correlation e ects were accounted for through singledouble multireference (SD-MR) expansions to increasing sets of active orbitals.
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| 79. |
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| 80. |
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