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Atoms, Volume 12, Issue 5 (May 2024) – 3 articles

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15 pages, 1097 KiB  
Article
PyQCAMS: Python Quasi-Classical Atom–Molecule Scattering
by Rian Koots and Jesús Pérez-Ríos
Atoms 2024, 12(5), 29; https://doi.org/10.3390/atoms12050029 - 11 May 2024
Viewed by 282
Abstract
We present Python Quasi-classical atom–molecule scattering (PyQCAMS v0.1.0), a new Python package for atom–diatom scattering within the quasi-classical trajectory approach. The input consists of the mass, collision energy, impact parameter, and pair-wise/three-body interactions. As the output, the code provides the vibrational quenching, dissociation, [...] Read more.
We present Python Quasi-classical atom–molecule scattering (PyQCAMS v0.1.0), a new Python package for atom–diatom scattering within the quasi-classical trajectory approach. The input consists of the mass, collision energy, impact parameter, and pair-wise/three-body interactions. As the output, the code provides the vibrational quenching, dissociation, and reactive cross sections along with the rovibrational energy distribution of the reaction products. We benchmark the program for a reaction involving a molecular ion in a high-density ultracold gas, RbBa+ + Rb. Furthermore, we treat H2 + Ca → CaH + H reactions as a prototypical example to illustrate the properties and performance of the software. Finally, we study the parallelization performance of the code by looking into the speedup of the program as a function of the number of CPUs used. Full article
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18 pages, 5583 KiB  
Article
Interaction of Protons with Noble-Gas Atoms: Total and Differential Cross Sections
by Musab Al-Ajaleen and Károly Tőkési
Atoms 2024, 12(5), 28; https://doi.org/10.3390/atoms12050028 - 7 May 2024
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Abstract
We present a classical treatment of the ionization and electron-capture processes in the interaction of protons with neutral noble-gas atoms, namely, Ne, Ar, Kr, and Xe. We used a three-body classical-trajectory Monte Carlo (CTMC) method to calculate the total (TCS) and differential (DCS) [...] Read more.
We present a classical treatment of the ionization and electron-capture processes in the interaction of protons with neutral noble-gas atoms, namely, Ne, Ar, Kr, and Xe. We used a three-body classical-trajectory Monte Carlo (CTMC) method to calculate the total (TCS) and differential (DCS) cross sections of single-electron processes. The Garvey-type model potential was employed in the CTMC model to describe the collision between the projectile and the target, accounting for the screening effect of the inactive electrons. The TCSs are evaluated for impact energies in the energy range between 0.2 keV and 50 MeV for a number of sub-shells of the targets. The ionization DCS are evaluated for an impact energy of 35 keV, focusing on the outer sub-shells only. We found that our ionization and electron-capture TCSs are in very good agreement with the previous theoretical and experimental data for all targets. Moreover, we presented single (SDCS)- and double (DDCS)-differential cross sections as a function of the energy and ejection angle of the ionized electron for all collision systems. Full article
(This article belongs to the Section Atomic, Molecular and Nuclear Spectroscopy and Collisions)
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8 pages, 1546 KiB  
Article
External Radiation Assistance of Neutrinoless Double Electron Capture
by Vladimir N. Kondratyev and Feodor F. Karpeshin
Atoms 2024, 12(5), 27; https://doi.org/10.3390/atoms12050027 - 28 Apr 2024
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Abstract
The influence of electromagnetic radiation on nuclear processes is applied to an example of a neutrinoless double electron capture (0ν2ec). For cases with X-ray free-electron lasers (X-ray FELs) and/or inverse Compton X-ray sources, it was shown that such a decay can [...] Read more.
The influence of electromagnetic radiation on nuclear processes is applied to an example of a neutrinoless double electron capture (0ν2ec). For cases with X-ray free-electron lasers (X-ray FELs) and/or inverse Compton X-ray sources, it was shown that such a decay can be significantly enhanced by tuning the system to the resonant conditions through the absorption and/or emission of a photon with the decay resonance defect energy Δ. In this case, the 0v2ec decay rate Γ2e of nuclide Z grew linearly with field intensity (S/Sz) up to the X-ray flux power Sm~Z6, while Sz~Z6 (Γ/Δ)2 with decay width Γ of a daughter atom. For the case of 78Kr → 78Se − 0ν2eL1L1 capture we find Sz~109 W cm−2 and Sm~1017 W cm−2 which indicate a possibility of increasing decay rate to eight orders of magnitude or even larger. Full article
(This article belongs to the Section Nuclear Theory and Experiments)
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