The Ratip program for relativistic calculations of atomic transition, ionization and recombination properties

Fritzsche, S.

doi:10.1016/j.cpc.2012.02.016

Cited by 206 publications

(134 citation statements)

References 106 publications

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“…We compute the wave functions by utilizing the MCDF method as implemented in the GRASP [25] and RATIP codes [26]. The latter is applied to compute all the radiative as well as Auger transition rates.…”

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Prominent role of multielectron processes inK-shell double and triple photodetachment of oxygen anions

et al. 2016

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The photon-ion merged-beams technique was used at a synchrotron light source for measuring absolute cross sections of double and triple photodetachment of O − ions. The experimental photon energy range of 524-543 eV comprised the threshold for K-shell ionization. Using resolving powers of up to 13000, the position, strength and width of the below-threshold 1s 2s 2 2p 6 2 S resonance as well as the positions of the 1s 2s 2 2p 5 3 P and 1s 2s 2 2p 5 1 P thresholds for K-shell ionization were determined with high-precision. In addition, systematically enlarged multi-configuration Dirac-Fock calculations have been performed for the resonant detachment cross sections. Results from these abinitio computations agree very well with the measurements for the widths and branching fractions for double and triple detachment, if double shake-up (and -down) of the valence electrons and the rearrangement of the electron density is taken into account. For the absolute cross sections, however, a previously found discrepancy between measurements and theory is confirmed. Negative atomic ions play an important role in lowtemperature plasmas such as the upper atmosphere or the interstellar medium [1] and also in technical applications. For example, in the context of antihydrogen production, it has been proposed to use an ensemble of laser-cooled anions as a coolant for antiprotons [2]. Negative ions are fundamentally different from neutral atoms or positive ions since the extra electron in a negative ion is not only bound by the long-range Coulomb interaction with the atomic nucleus but, more importantly, also by a short-range attractive force due to the polarization of the atomic core. The accurate theoretical description of these ions still challenges the state-of-the-art quantum computations although the numbers of their bound states are generally finite. The low-excitation levels of negative ions are readily accessible by laser spectroscopy (see, e.g., [3][4][5][6]). Therefore, this technique has been a prime source of experimental information about the mutual interactions among the valence electrons.A sensitive tool for studying the interactions between the valence and the core electrons is inner-shell ionization of negative ions [7,8]. Here, we apply the photon-ion merged-beams technique (see [9] for a recent overview) to determine the absolute cross sections for double and triple ionization (detachment) of oxygen anions in the photon energy range 524-543 eV. In this energy range, a K-shell vacancy may be produced either by direct ionization of an initial 1s electron or via the formation of a resonance state by exciting one 1s electron to a higher shell such as 2p. In either case, the K-vacancy decays subsequently by a cascade of radiative and nonradiative processes leading to a distribution of final charge states with O + and O 2+ as the most prominent charged reaction products. To test and better understand the theoretical prediction of such cascades, we performed extremely comprehensive quantum calculations for the formation...

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Prominent role of multielectron processes inK-shell double and triple photodetachment of oxygen anions

et al. 2016

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“…Inaccurate atomic transition probabilities from EADL will dominate the uncertainties in the calculated Auger yields. Therefore, we aim to replace the atomic cross sections from EADL using the relativistic atomic structure packages, namely the General Purpose Relativistic Atomic Structure Program, grasp2k [21] and the Relativistic Atomic Transition and Ionization Properties, ratip [22]. These programs are based on the relativistic Multiconfiguration Dirac-Hartree-Fock (MCDHF) method.…”

Section: Multiconfiguration Dirac-hartree-fock Methodsmentioning

confidence: 99%

“…The auger component [41] of the ratip package [22] has been adopted to calculate the Auger transition energies and rates. In this component, a central-field approximation has been adopted to treat the interaction of the outgoing electron with the bound-state electron density.…”

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Auger yield calculations for medical radioisotopes

Lee

Kibédi

Stuchbery

2015

EPJ Web of Conferences

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“…The photoionization cross sections and the Auger transition rates are calculated by means of the RATIP toolkit [19]. The wave functions are generated by means of the multiconfiguration Dirac-Fock (MCDF) method, which is implemented in the GRASP code [20].…”

Section: Theorymentioning

confidence: 99%

Triple ionization of atomic Cd involving4p−1and4s−1inner-shell holes

et al. 2015

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This is the published version of a paper published in Physical Review A. Atomic, Molecular, and Optical Physics. Citation for the original published paper (version of record):Andersson, J., Beerwerth, R., Linusson, P., Eland, J H., Zhaunerchyk, V. et al. (2015) Triple ionization of atomic Cd involving 4p(-1) and 4s(-1) inner-shell holes. The triple ionization spectrum of atomic Cd formed upon the removal of a 4p or a 4s inner-shell electron and subsequent Auger decays has been obtained at 200 eV photon energy. By using a versatile multielectron coincidence detection technique based on a magnetic bottle spectrometer in combination with multiconfiguration Dirac-Fock calculations, Auger cascades leading to tricationic final states have been analyzed and final-state configurations have been identified. The most prominent Auger cascades leading to the ground state of Cd 3+ have been identified in good agreement with theory. Physical

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The Ratip program for relativistic calculations of atomic transition, ionization and recombination properties

Cited by 206 publications

References 106 publications

Prominent role of multielectron processes inK-shell double and triple photodetachment of oxygen anions

Prominent role of multielectron processes inK-shell double and triple photodetachment of oxygen anions

Auger yield calculations for medical radioisotopes

Triple ionization of atomic Cd involving4p−1and4s−1inner-shell holes

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