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Atoms, Volume 11, Issue 1

2023 January - 13 articles

Cover Story: Orbitals resulting from MCDHF calculations describing core–core correlation and other effects may be inadequate for building CSFs which account for correlation effects that are energetically unimportant but decisive for computed properties, e.g., hyperfine structures. This inadequacy can be traced in irregular or oscillating convergence patterns of the computed properties as functions of the increasing orbital set. We propose an efficient procedure to lower the energy and adequately account for the correlation effects that are important for the property. The old (red) and new methods (blue) of determining the convergence of the hyperfine structure constants in Li as functions of orbital sets of increasing size are depicted on the cover page. View this paper
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Articles (13)

  • Article
  • Open Access
3 Citations
2,127 Views
8 Pages

X-ray Spectroscopy Based on Micro-Calorimeters at Internal Targets of Storage Rings

  • Marc Oliver Herdrich,
  • Daniel Hengstler,
  • Andreas Fleischmann,
  • Christian Enss,
  • Alexandre Gumberidze,
  • Pierre-Michel Hillenbrand,
  • Paul Indelicato,
  • Stephan Fritzsche and
  • Thomas Stöhlker

14 January 2023

With metallic-magnetic calorimeters (MMCs), promising detectors for high-precision X-ray spectrometry in atomic and fundamental physics experiments are available. In this work, we present a pilot experiment based on a maXs-30 type MMC-spectrometer fo...

  • Article
  • Open Access
13 Citations
3,212 Views
25 Pages

Performance Tests and Improvements on the rmcdhf and rci Programs of GRASP

  • Yanting Li,
  • Jinqing Li,
  • Changxian Song,
  • Chunyu Zhang,
  • Ran Si,
  • Kai Wang,
  • Michel Godefroid,
  • Gediminas Gaigalas,
  • Per Jönsson and
  • Chongyang Chen

13 January 2023

The latest published version of GRASP (General-purpose Relativistic Atomic Structure Package), i.e., GRASP2018, retains a few suboptimal subroutines/algorithms, which reflect the limited memory and file storage of computers available in the 1980s. He...

  • Article
  • Open Access
5 Citations
2,434 Views
10 Pages

Collinear Laser Spectroscopy of Helium-like 11B3+

  • Konstantin Mohr,
  • Axel Buß,
  • Zoran Andelkovic,
  • Volker Hannen,
  • Max Horst,
  • Phillip Imgram,
  • Kristian König,
  • Bernhard Maaß,
  • Wilfried Nörtershäuser and
  • Christian Weinheimer
  • + 2 authors

11 January 2023

Collinear laser spectroscopy in the 1s2s3S11s2p3P0,2 transitions of helium-like 11B3+ was performed using the HITRAP beamline at the GSI Helmholtz Centre. The ions were produced in an electron beam ion source, extracted, and accelerated to a be...

  • Article
  • Open Access
3 Citations
2,745 Views
17 Pages

10 January 2023

We calculate the fully retarded one-photon exchange interaction potential between electrically neutral, identical atoms, one of which is assumed to be in an excited state, by matching the scattering matrix (S matrix) element with the effective Hamilt...

  • Article
  • Open Access
4 Citations
2,686 Views
12 Pages

4 January 2023

Positron scattering by beryllium atoms in the low-energy range (≤4.0 eV) was studied within ab initio and semiempirical frameworks. When interpreting the static dipole polarizability and the scattering length as representative quantities of the ta...

  • Article
  • Open Access
1 Citations
1,991 Views
15 Pages

1 January 2023

Electronic structure calculations are mostly carried out with Coulomb potential singularity adapted basis sets such as STO or contracted GTO. With another basis or for heavy elements, the pseudopotentials may appear as a practical alternative. Here,...

  • Article
  • Open Access
55 Citations
7,549 Views
44 Pages

An Introduction to Relativistic Theory as Implemented in GRASP

  • Per Jönsson,
  • Michel Godefroid,
  • Gediminas Gaigalas,
  • Jörgen Ekman,
  • Jon Grumer,
  • Wenxian Li,
  • Jiguang Li ,
  • Tomas Brage,
  • Ian P. Grant and
  • Charlotte Froese Fischer
  • + 1 author

31 December 2022

Computational atomic physics continues to play a crucial role in both increasing the understanding of fundamental physics (e.g., quantum electrodynamics and correlation) and producing atomic data for interpreting observations from large-scale researc...

  • Article
  • Open Access
1,952 Views
7 Pages

31 December 2022

Radiative double-electron capture, which can be considered the inverse of double photoionization, has been investigated for 2.11 MeV/u F9+ and F8+ projectiles colliding with the two-dimensional target single-layer graphene. Preliminary results for th...

  • Article
  • Open Access
2 Citations
2,285 Views
7 Pages

Exploitation of the Timing Capabilities of Metallic Magnetic Calorimeters for a Coincidence Measurement Scheme

  • Philip Pfäfflein,
  • Günter Weber,
  • Steffen Allgeier,
  • Sonja Bernitt,
  • Andreas Fleischmann,
  • Marvin Friedrich,
  • Christoph Hahn,
  • Daniel Hengstler,
  • Marc Oliver Herdrich and
  • Thomas Stöhlker
  • + 9 authors

31 December 2022

In this report, we compare two filter algorithms for extracting timing information using novel metallic magnetic calorimeter detectors, applied to the precision X-ray spectroscopy of highly charged ions in a storage ring. Accurate timing information...

  • Article
  • Open Access
6 Citations
2,991 Views
12 Pages

Independently Optimized Orbital Sets in GRASP—The Case of Hyperfine Structure in Li I

  • Yanting Li,
  • Per Jönsson,
  • Michel Godefroid,
  • Gediminas Gaigalas,
  • Jacek Bieroń,
  • José Pires Marques,
  • Paul Indelicato and
  • Chongyang Chen

30 December 2022

In multiconfiguration Dirac–Hartree–Fock (MCDHF) calculations, there is a strong coupling between the localization of the orbital set and the configuration state function (CSF) expansion used to determine it. Furthermore, it is well known...

  • Article
  • Open Access
7 Citations
3,724 Views
16 Pages

29 December 2022

Polarons are quasiparticles relevant across many fields in physics: from condensed matter to atomic physics. Here, we study the quasiparticle properties of two-dimensional strongly interacting Bose polarons in atomic Bose–Einstein condensates a...

  • Article
  • Open Access
1 Citations
2,073 Views
7 Pages

21 December 2022

X-ray emission as a result of radiative recombination (RR) at threshold energies in the electron cooler of CRYRING@ESR was investigated for decelerated bare lead ions at a beam energy of 10 MeV/u. The recorded spectra are dominated by characteristic...

  • Article
  • Open Access
5 Citations
2,310 Views
7 Pages

Higher-Order Recombination Processes in Argon Ions Observed via X-ray Emission in an EBIT

  • Weronika Biela-Nowaczyk,
  • Pedro Amaro,
  • Filipe Grilo and
  • Andrzej Warczak

21 December 2022

In electron–ion collisions, recombination processes play a very important role. Recently, multielectron recombination processes have been highly investigated, as they carry information about electron–electron interaction. Among them, the...

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Atoms - ISSN 2218-2004