| 1. |
- Agueny, Hicham, et al.
(författare)
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Electron capture, ionization and excitation cross sections for keV collisions between fully stripped ions and atomic hydrogen in ground and excited states
- 2019
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Ingår i: Atomic Data and Nuclear Data Tables. - : Elsevier BV. - 1090-2090 .- 0092-640X. ; 129-130:September–November 2019
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Tidskriftsartikel (refereegranskat)abstract
- Using a semiclassical close-coupling approach, we have calculated electron capture, excitation and ionization cross sections for collisions of fully stripped hydrogen, helium and lithium ions with atomic hydrogen in the ground state and in all excited states up to n=3. The cross sections for collision energies between 1 and 100 keV/u are given in table form. Furthermore, we provide estimates of the accuracy of the cross sections. The set of data presented in this work represent the first complete and consistent quantum study of these collision systems and will find use in the modeling and diagnosis of thermonuclear fusion plasma reactors.
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| 2. |
- Ekman, Jörgen, et al.
(författare)
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Large-scale calculations of atomic level and transition properties in the aluminum isoelectronic sequence from Ti X through Kr XXIV, Xe XLII, and W LXII
- 2018
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Ingår i: Atomic Data and Nuclear Data Tables. - : Elsevier. - 0092-640X .- 1090-2090. ; 120, s. 152-262
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Tidskriftsartikel (refereegranskat)abstract
- Large-scale self-consistent multiconfiguration Dirac-Hartree-Fock subsequent relativistic configuration interaction (RCl) calculations are reported for 360 states belonging to the 30 configurations 3s(2))3l, 4l. 5l}, 3p(2) (3d, 4l}, 3s(3p(2). 3d(2)),3s{3p3d, 3p4l. 3p5s, 3d4l'}, 3p3d(2), 3p(3) and 3d(3) with I = 0, 1,, n - 1 and l' = 0. 1. 2 in 17 systems of the aluminum-like isoelectronic sequence: Ti X through Kr XXIV, Xe XLII, and W LXII. Effects from electron correlation are taken into account by means of large expansions in terms of a basis of configuration state functions (CSF) and calculated energy levels are compared with existing theoretical calculations and the NIST Atomic Spectra database. Radiative E1, E2, M1 and M2 transition rates and associated lifetimes of energy levels are presented in online tables. The uncertainties of the calculated energies are very small, on average between 0.02% and 0.05%, which aid new line identifications in laboratory and astronomical spectra and also make it possible to find and rule out misidentifications. The uncertainties of the El transition probabilities, based on the agreement between values in the length and velocity gauges, are estimated to be of the order 0.5% for the strong transitions and 25% for the weaker intercombination transitions. The M1 transition values are not sensitive to electron correlation and are believed to be accurate to well within 1%. (C) 2017 Published by Elsevier Inc.
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| 3. |
- Gaigalas, G., et al.
(författare)
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Energy and transition data computations for P-like ions : As, Kr, Sr, Zr, Mo, and W
- 2021
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Ingår i: Atomic Data and Nuclear Data Tables. - : Academic Press. - 0092-640X .- 1090-2090. ; 141
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Tidskriftsartikel (refereegranskat)abstract
- The multiconfiguration Dirac-Hartree-Fock (MCDHF) and relativistic configuration interaction (RCI) methods were used to compute excitation energies and transition data for the 147 lowest states of the even 3s(3)p(4), 3s(2)3p2(3)d, 3p(4)3d, 3s(3)p(2)3d(2) configurations and for the 124 lowest states of the odd 3s23p3, 3p5, 3s3p33d, 3s(2)3p(3)d2, 3p(3)3d(2) configurations for the P-like ions: As XIX, Kr XXII, Sr XXIV, Zr XXVI, Mo XXVIII, and W LX. E1 transition rates and weighted oscillator strengths among these states are given. Valence-valence, core-valence and core-core electron correlation effects are included. Computed excitation energies and transition data are compared with the NIST recommended values and experimental or theoretical results of other authors. All calculations were performed using the general relativistic atomic structure package GRASP2018. (C) 2021 Elsevier Inc. All rights reserved.
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| 4. |
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| 5. |
- Jönsson, Per, et al.
(författare)
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Energies, Transition Rates, Hyperfine Structures, and Landé gJ Factors for the Fine-structure Levels of the 2s22p2, 2s2p3, and 2p4 Configurations in Carbon-like Ions between F IV and Ni XXIII
- 2011
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Ingår i: Atomic Data and Nuclear Data Tables. - : Elsevier. - 0092-640X .- 1090-2090. ; 97:6, s. 648-691
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Tidskriftsartikel (refereegranskat)abstract
- Energies, electric dipole, magnetic dipole, and electric quadrupole transition rates, hyperfine structures, and Landé g J factors from relativistic configuration interaction calculations are reported for the states of the (1s 2 )2s 2 2p 2 , 2s2p 3 , and 2p 4 configurations in all carbon-like ions between F IV and Ni XXIII. Valence, core-valence, and core-core correlation effects were accounted for through single/double-excitation-multireference expansions to increasing sets of active orbitals. The calculated energy levels generally agree within a few hundred cm -1 with the experimentally compiled results, and the Babushkin (length), and Coulomb (velocity) forms of transition rates agree within less than 1% for a majority of the allowed transitions.
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| 6. |
- Jönsson, Per, et al.
(författare)
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Hyperfine structures, isotope shifts and transition rates of C II, N III, and O IV from relativistic configuration interaction calculations
- 2010
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Ingår i: Atomic Data and Nuclear Data Tables. - : Elsevier. - 0092-640X .- 1090-2090. ; 96:3, s. 271-298
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Tidskriftsartikel (refereegranskat)abstract
- Energy levels, specific mass shift parameters, hyperfine interaction constants, Landé gJ factors, and transition probabilities between computed levels are reported for C II, N III, and O IV. Results include levels belonging to 2s22p,2s2p2,2p3,2s23s,2s23p,2s23d,2s2p3s and, in the case of C II, the 2s24s and 2s24p configurations. Wavefunctions were determined using the multiconfiguration Dirac–Hartree–Fock method and account for valence, core–valence, and core–core correlation effects.
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| 7. |
- Jönsson, Per, et al.
(författare)
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Relativistic CI calculations of spectroscopic data for the 2p6 and 2p53l configurations in Ne-like ions between Mg III and Kr XXVII
- 2014
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Ingår i: Atomic Data and Nuclear Data Tables. - : Elsevier. - 0092-640X .- 1090-2090. ; 100:1, s. 1-154
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Tidskriftsartikel (refereegranskat)abstract
- Energies, E1, M1, E2, M2 transition rates, oscillator strengths, and lifetimes from relativistic configuration interaction calculations are reported for the states of the 2p6, 2p53s, 2p53p, and 2p53d, configurations in all Ne-like ions between Mg III and Kr XXVII. Core–valence and core–core correlation effects are accounted for through single and double excitations to increasing sets of active orbitals. The Breit interaction and leading quantum electrodynamic effects are included as perturbations. The results are compared with experiments and other recent benchmark calculations. In Mg III, Al IV, Si V, P VI, S VII, and Ar IX, for which experimental energies are known to high accuracy, the mean error in the calculated energies is only 0.011%.
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| 8. |
- Naze, Cedric, et al.
(författare)
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Isotope Shifts in Beryllium-, Boron-, Carbon-, and Nitrogen-like Ions from Relativistic Configuration Interaction Calculations
- 2014
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Ingår i: Atomic Data and Nuclear Data Tables. - : Elsevier. - 0092-640X .- 1090-2090. ; 100:5, s. 1197-1249
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Tidskriftsartikel (refereegranskat)abstract
- 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 wavefunctions 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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| 9. |
- Niyonzima, S., et al.
(författare)
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Low-energy collisions between electrons and BeH+ : Cross sections and rate coefficients for all the vibrational states of the ion
- 2017
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Ingår i: Atomic Data and Nuclear Data Tables. - : Elsevier BV. - 0092-640X .- 1090-2090. ; 115, s. 287-308
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Tidskriftsartikel (refereegranskat)abstract
- We provide cross sections and Maxwell rate coefficients for reactive collisions of slow electrons with BeH+ ions on all the eighteen vibrational levels (X-1 Sigma(+), v(i)(+) = 0, 1, 2, ... , 17) using a Multichannel Quantum Defect Theory (MQDT)-type approach. These data on dissociative recombination, vibrational excitation and vibrational de-excitation are relevant for magnetic confinement fusion edge plasma modeling and spectroscopy, in devices with beryllium based main chamber materials, such as the International Thermonuclear Experimental Reactor (ITER) and the Joint European Torus (JET). Our results are presented in graphical form and as fitted analytical functions, the parameters of which are organized in tables.
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| 10. |
- Rynkun, Pavel, et al.
(författare)
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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
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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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