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Calculations and Measurements of Atomic and Molecular Collisions

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Dr. Liyi Gu

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Guest Editor

SRON Netherlands Institute for Space Research, Niels Bohrweg 4, 2333 CA Leiden, The Netherlands
Interests: X-ray astronomy; atomic physics; plasma modeling

Dr. Junjie Mao

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Guest Editor

Department of Astronomy, Tsinghua University, Beijing 100084, China
Interests: astrophysics; spectroscopy; atomic data (theory)

Dr. Chintan Shah

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NASA/Goddard Space Flight Center, 8800 Greenbelt Rd, Greenbelt, MD 20771, USA
Interests: atomic physics; electron beam ion trap; highly charged ions; laboratory astrophysics; X-ray astrophysics; synchrotron radiation spectroscopy

Prof. Dr. Floris Van der Tak

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Guest Editor

SRON Netherlands Institute for Space Research, Landleven 12, 9747 AD Groningen, The Netherlands
Interests: ISM physics and star formation; interstellar chemistry; exoplanet habitability; molecular spectroscopy and radiative transfer

Special Issue Information

Dear Colleagues,

Progress in theoretical modeling and laboratory measurements of reaction rates at atomic and molecular scales has recently led to breakthroughs in spectroscopy with astrophysical, astrochemical, and fusion targets. Cross-disciplinary efforts are needed to ensure that the calculations and laboratory measurements are carried out on aspects that are relevant to the target sources, and that these new results can be validated and further improved through comparisons. Papers in this Special Issue provide insight into the current activities in the creation of atomic and molecular rates, identifying challenges with respect to the demands from the user community, and highlighting solutions that bridge the theoretical and laboratory efforts.

In this Special Issue, original research articles and reviews are welcome. Research areas may include (but are not limited to) the following: theoretical calculations of collisional, photoionized, recombination, or charge exchange spectra and reaction rates; calculations of molecular formation and transitions; laboratory spectroscopy of atomic and molecular collisions and interactions; and constraints from observations of astrophysical and fusion plasmas.

Dr. Liyi Gu
Dr. Junjie Mao
Dr. Chintan Shah
Prof. Dr. Floris Van der Tak
Guest Editors

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Research

20 pages, 1930 KiB

Open AccessArticle

Elastic Electron Scattering from Be, Mg, and Ca

by Mehrdad Adibzadeh, Constantine E. Theodosiou and Nicholas J. Harmon

Atoms 2024, 12(6), 33; https://doi.org/10.3390/atoms12060033 - 18 Jun 2024

Viewed by 1117

Abstract

We present a comprehensive set of theoretical results for differential, integrated, and momentum transfer cross sections for the elastic scattering of electrons by beryllium, magnesium, and calcium at energies below 1 keV. In addition, we provide Sherman function values for elastic electron scattering from calcium in the same energy range. This study extends the application of our method of calculations, already employed for barium and strontium, to all stable alkaline-earth-metal atoms. Our semi-empirical approach to treating target polarization has produced in our earlier work a satisfactory agreement with experimental values and precise theoretical results such as convergent close-coupling calculations for barium. The present data are expected to be of similar high accuracy, based on our previous success in similar calculations for barium and all inert gases. Full article

(This article belongs to the Special Issue Calculations and Measurements of Atomic and Molecular Collisions)

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12 pages, 655 KiB

Open AccessArticle

R-Matrix Calculation of Electron Collision with the BeO⁺ Molecular Ion

by Nilanjan Mukherjee, Abhijit Bhattacharyya and Kalyan Chakrabarti

Atoms 2024, 12(1), 2; https://doi.org/10.3390/atoms12010002 - 10 Jan 2024

Cited by 1 | Viewed by 2015

Abstract

We report here an R-matrix study of electron collision with the BeO

^{+}

molecular ion in its X

^{2} Π

ground state and at a single bond length, namely its equilibrium

R_{e} = 2.7023

a_{0}

. Firstly, a good [...] Read more.

We report here an R-matrix study of electron collision with the BeO

^{+}

molecular ion in its X

^{2} Π

ground state and at a single bond length, namely its equilibrium

R_{e} = 2.7023

a_{0}

. Firstly, a good quality configuration interaction calculation is performed for the BeO

^{+}

ground and excited states. We then perform scattering calculations using the R-matrix method to yield the cross-section for electronic excitation to several of its excited states. The electron impact dissociation of BeO

^{+}

through the two lowest dissociation channels, namely the Be

^{+} (^{2} S_{g})

+ O

(^{3} P_{g})

and Be

^{+} (^{2} S_{g})

+ O

(^{1} D_{g})

dissociation channels, is estimated using the electronic excitation cross-sections. Rotational excitation cross-sections are provided for the

j (= 0) \to j^{'} (= 1, 2, 3)

rotational transitions. Our calculations also yield e + BeO

^{+}

neutral Feshbach resonances and their widths which we present systematically categorized by their symmetry and quantum defects, and BeO-bound Rydberg states at the BeO

^{+}

equilibrium. The full potential energy curves for the resonant states, their widths and the bound Rydberg states, whose details we propose to give in a subsequent work, can be the starting point of other collision calculations. Full article

(This article belongs to the Special Issue Calculations and Measurements of Atomic and Molecular Collisions)

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