Special Issue "Atomic Structure and Scattering: Comparative Theoretical Calculations and Uncertainties"

A special issue of Atoms (ISSN 2218-2004).

Deadline for manuscript submissions: closed (1 April 2020) | Viewed by 2362

Special Issue Editors

Astrophysics Research Centre, School of Mathematics and Physics, Queen’s University Belfast, Belfast BT7 1NN, Northern Ireland, UK
Interests: theoretical atomic physics; calculations of energy levels, transition radiative rates, lifetimes, collision strengths, and excitation rates for a wide range of atomic systems; data evaluation and application for analysis of astrophysical plasmas
Special Issues, Collections and Topics in MDPI journals
Nuclear Data Center, Korea Atomic Energy Research Institute (KAERI), 111, Daedeok-daero 989 beon-gil, Yuseong-gu, Daejeon 34057, Korea
Interests: atomic structure; transition probability; collision cross section; spectroscopic modeling

Special Issue Information

Dear Colleagues,

Atomic processes, such as radiative transition, electron-impact excitation/deexcitation, ionization and recombination, and photoexcitation, are useful for spectroscopic modeling of a variety of plasmas, including astrophysical, fusion, lasing, and industrial. Since most of the data for these processes are neither available experimentally nor are easily measurable, the desired results are obtained theoretically, using a variety of (structure and collision) codes, based on non-relativistic or relativistic, configuration-interaction or full variational, and perturbative or close coupled ab-initio and scaling methods. However, some of the requirements for the data are not only for their completeness, but also their accuracy and reliability, which have become major concerns in the past few years, because large discrepancies in almost all atomic parameters are often noted. Furthermore, data are required for a wide range of elements and their ions for which collaborative global efforts are necessary. Therefore, this special issue will help to find insights to resolve discrepancies and to have consistency among different calculations, so that data can be confidently used for applications. Towards this goal, we invite reports, reviews of recent calculations and/or measurements, and even fresh original work for various atomic systems by many different structure, collision, and collisional-radiative modeling codes and models. A special emphasis is desired for comparisons, among the calculational tools and data, and realistic estimates of uncertainties and/or accuracies. We encourage all theoreticians and experimentalists who specialize in atomic and molecular physics to make contributions to this Special Issue.

All contributed papers will undergo the standard peer reviewing process of the journal and will be published in a single issue towards the end of the year 2020. To make its publication feasible and to make the issue a source of reference for years to come, contributions are invited, through the journal website, latest by 31 March 2020. Furthermore, the first 5 submitted (and accepted) papers before this date, but well prepared according to the journal’s standard, which will not require extensive editorial corrections, will be free of Article Processing Charges (APC). The remaining contributed papers will only be eligible for 50% discount on APC. Papers submitted after this date may not be included in the special issue but will continue to be processed for the regular issue/s of the journal, but with full payment of the APC.

Dr. Kanti M. Aggarwal
Dr. Duck-Hee Kwon
Guest Editors

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Atoms is an international peer-reviewed open access monthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 1500 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.


  • Atomic structure
  • scattering cross sections
  • spectroscopic modeling
  • calculation codes
  • uncertainties and sensibilities

Published Papers (1 paper)

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Low-Energy Electron Elastic Total Cross Sections for Ho, Er, Tm, Yb, Lu, and Hf Atoms
Atoms 2020, 8(2), 17; https://doi.org/10.3390/atoms8020017 - 30 Apr 2020
Cited by 4 | Viewed by 1908
The robust Regge-pole methodology wherein is fully embedded the essential electron-electron correlation effects and the vital core polarization interaction has been used to explore negative ion formation in the large lanthanide Ho, Er, Tm, Yb, Lu, and Hf atoms through the electron elastic [...] Read more.
The robust Regge-pole methodology wherein is fully embedded the essential electron-electron correlation effects and the vital core polarization interaction has been used to explore negative ion formation in the large lanthanide Ho, Er, Tm, Yb, Lu, and Hf atoms through the electron elastic total cross sections (TCSs) calculations. These TCSs are characterized generally by dramatically sharp resonances manifesting ground, metastable, and excited negative ion formation during the collisions, Ramsauer-Townsend minima, and shape resonances. The novelty and generality of the Regge-pole approach is in the extraction of the negative ion binding energies (BEs) of complex heavy systems from the calculated electron TCSs. The extracted anionic BEs from the ground state TCSs for Ho, Er, Tm, Yb, Lu, and Hf atoms are 3.51 eV, 3.53 eV, 3.36 eV, 3.49 eV, 4.09 eV and 1.68 eV, respectively. The TCSs are presented and the extracted from the ground; metastable and excited anionic states BEs are compared with the available measured and/or calculated electron affinities. We conclude with a remark on the existing inconsistencies in the meaning of the electron affinity among the various measurements and/or calculations in the investigated atoms and make a recommendation to resolve the ambiguity. Full article
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