PAMOP2: Towards Exascale Computations Supporting Experiments and Astrophysics

McLaughlin, B. M.; Ballance, C. P.; Pindzola, M. S.; Stancil, P. C.; Babb, James F.; Schippers, S.; Müller, A.

doi:10.1007/978-3-030-13325-2_3

Cited by 3 publications

(2 citation statements)

References 64 publications

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“…The present work employs an efficient parallel version [32,33] of the Dirac-Atomic R-matrix-Codes (DARC) [34][35][36][37][38] developed for treating electron and photon interactions with atomic systems. This suite continues to evolve [39][40][41][42][43][44] in order to address ever increasing expansions for the target and collision models used in electron and photon impact with heavy atomic systems [45,46]. The latest example of the application to photoionization is the recent comparison of experiment and theory for the Ca + [47] and Rb + [24] ions and the theoretical work on neutral Fe [48].…”

Section: Theorymentioning

confidence: 99%

Photoionization of Rb²⁺ions in the valence energy region 37–44 eV

McLaughlin¹,

Babb²

2019

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

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Absolute photoionization cross sections for the Rb 2+ ion were recently measured at high resolution over the energy range 37.31 eV -44.08 eV, with autoionizing Rydberg resonance series identified, using the photon-ion merged-beam setup at the Advanced Light Source (als) in Berkeley (Macaluso D A et. al. J. Phys. B: At. Mol. Opt. Phys. 49 (2016) 235002; 50 (2017) 119501). Detailed photon-energy scans taken at 13.5 ± 2.5 meV bandwidth illustrated multiple Rydberg resonance series associated with the ground and metastable states. Here we present theoretical cross section results obtained using the Dirac-Coulomb R-matrix approximation with a detailed analysis of the resonances. The calculations were performed for the 3d 10 4s 2 4p 5 2 P o J , J = 3 2 ground state and the corresponding 3d 10 4s 2 4p 5 2 P o J , J = 1 2 metastable level. Results from the large-scale calculations are benchmarked against the als high-resolution measurements and reproduce the dominant resonance features in the spectra, providing confidence in the theoretical work for astrophysical applications.

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Section: Theorymentioning

confidence: 99%

Photoionization of Rb²⁺ions in the valence energy region 37–44 eV

McLaughlin¹,

Babb²

2019

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

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“…The present work employs an efficient parallel version [21,22] of the Dirac-Atomic R-matrix-Codes (DARC) [23][24][25][26][27] developed for treating electron and photon interactions with atomic systems. This suite continues to evolve( [28] and references therein) in order to address ever increasing expansions for the target and collision models used in electron and photon impact with heavy atomic systems.…”

Section: Theorymentioning

confidence: 99%

Photoionization of tungsten ions: experiment and theory for W⁵⁺

Müller

Schippers

Hellhund

et al. 2019

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

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Experimental and theoretical cross sections are reported for single-photon single ionization of W5+ ions. Absolute measurements were conducted employing the photon–ion merged-beams technique. Detailed photon-energy scans were performed at (67 ± 10) meV resolution in the 20–160 eV range. In contrast to photoionization of tungsten ions in lower charge states, the cross section is dominated by narrow, densely-spaced resonances. Theoretical results were obtained from a Dirac–Coulomb R-matrix approach employing a basis set of 457 levels providing cross sections for photoionization of W5+ ions in the 4 f 14 5 s 2 5 p 6 5 d 2 D 3 / 2 ground level as well as the 4 f 14 5 s 2 5 p 6 5 d 2 D 5 / 2 and 4 f 14 5 s 2 5 p 6 6 s 2 S 1 / 2 metastable excited levels. Considering the complexity of the electronic structure of tungsten ions in low charge states, the agreement between theory and experiment is satisfactory.

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