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Atoms, Volume 12, Issue 8 (August 2024) – 5 articles

Cover Story (view full-size image): Dye-laser light influences the electrical properties of gas discharges. The impedance of a discharge, being sensitive to laser wavelengths corresponding to electronic transitions of atoms present in the discharge, yields the optogalvanic spectrum of the discharge (i.e., electrical conductivity vs. frequency). Electrical impedance signatures occur in non-equilibrium dynamics and can be in the order of 0–10%, depending on the species, the transition, and the oscillatory nature of any dynamic forcing.  Instead of obtaining a neon spectrum from laser-wavelength-dependent deviations in the frequency of the discharge-recombination cycle, we apply a nearly-entraining driving force to such a self-oscillating circuit and obtain the optogalvanic beat-frequency spectrum with a signal-to-noise ratio 50 times larger than previous methods allow. View this paper
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9 pages, 2276 KiB  
Article
Detection of Optogalvanic Spectra Using Driven Quasi-Periodic Oscillator Dynamics
by Mark Koepke
Atoms 2024, 12(8), 42; https://doi.org/10.3390/atoms12080042 - 19 Aug 2024
Viewed by 762
Abstract
The narrowband light from a scannable, single-mode dye laser influences the electrical properties of gas discharges. The variation in these properties as the laser wavelength λ is scanned yields the optogalvanic spectrum of the discharge (i.e., electrical conductivity vs. frequency). By connecting a [...] Read more.
The narrowband light from a scannable, single-mode dye laser influences the electrical properties of gas discharges. The variation in these properties as the laser wavelength λ is scanned yields the optogalvanic spectrum of the discharge (i.e., electrical conductivity vs. frequency). By connecting a neon lamp, capacitor, and power supply in parallel, an undriven relaxation oscillator is formed whose natural frequency f0 is affected by neon-resonant laser light and this λ-dependence of the relaxation oscillator frequency f0 yields a variant optogalvanic spectrum (i.e., f0 vs. frequency). In this paper, a driving force is effectively applied to an otherwise undriven oscillator when the incident light is chopped periodically at fd. For fdf0 and a sufficiently large driving force amplitude (laser intensity and the degree of neon resonance), the relaxation oscillator can be entrained so that f0 is locked on fd and is independent of λ. For the new chopped-light technique described here, fd is adjusted to be the subthreshold of the entrainment range, where the λ-dependence of f0 is advantageously exaggerated by periodic pulling, and the beat frequency |fdf0| vs. λ provides an optogalvanic spectrum with appealingly amplified signal-to-noise qualities. Beat frequency neon spectra are reported for the cases fd < f0 and fd > f0 and are compared with spectra obtained using the unchopped-light (i.e., undriven) method. Full article
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5 pages, 2337 KiB  
Obituary
Claudio Mendoza (1951–2024)
by Manuel Bautista Plaza
Atoms 2024, 12(8), 41; https://doi.org/10.3390/atoms12080041 - 9 Aug 2024
Viewed by 965
Abstract
I met Claudio in 1989 when I was starting the last year of my physics bachelor’s degree [...] Full article
(This article belongs to the Section Atomic, Molecular and Nuclear Spectroscopy and Collisions)
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11 pages, 351 KiB  
Article
Calculation of Low-Lying Electronic Excitations of Magnesium Monofluoride: How Well Do Coupled-Cluster Methods Work?
by Marko Horbatsch
Atoms 2024, 12(8), 40; https://doi.org/10.3390/atoms12080040 - 8 Aug 2024
Cited by 1 | Viewed by 809
Abstract
Magnesium monofluoride is a polar molecule amenable to laser cooling which has caused renewed interest in its spectroscopy. In this work, we consider the case of three low-lying electronic excitations, namely X2Σ+A2Π, [...] Read more.
Magnesium monofluoride is a polar molecule amenable to laser cooling which has caused renewed interest in its spectroscopy. In this work, we consider the case of three low-lying electronic excitations, namely X2Σ+A2Π, X2Σ+B2Σ+, X2Σ+C2Σ+, using well-developed quantum chemistry approaches, i.e., without reference to the spin-orbit splitting of the A2Π states. Accurate experimental data for these transitions have been available for over 50 years. Here, we explore the linear response method at the level of CC2 theory, as well as equation of motion methods at the level of CCSD and CC3, using two families of basis sets. Excellent agreement is obtained for the first three transitions when using the correlation-consistent basis sets and extrapolation to the complete basis limit within EOM-CC3 (at a relative precision of 104), and qualitative agreement for the other two methods. The purpose of this paper is to serve as a guide on how to approach the accurate calculation of excitations in polar diatomic molecules. Full article
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11 pages, 2412 KiB  
Article
A Collisional-Radiative Model for Kr III Ions
by Shikha Rathi and Lalita Sharma
Atoms 2024, 12(8), 39; https://doi.org/10.3390/atoms12080039 - 29 Jul 2024
Viewed by 898
Abstract
A collisional radiative model for Kr III in the ultraviolet regime is developed. For this purpose, atomic parameters for 4s24p4, 4s4p5, 4s24p3nl, and [...] Read more.
A collisional radiative model for Kr III in the ultraviolet regime is developed. For this purpose, atomic parameters for 4s24p4, 4s4p5, 4s24p3nl, and 4s24p35d configurations with n ranging from 5 to 7 and l=s,p, using the multiconfiguration Dirac–Hatree–Fock method are calculated. The effects of Breit and radiative quantum electrodynamic corrections are also included. Electron impact excitation cross-sections from the ground state, along with four metastable states arising from the 4s24p4 configuration to all fine structure levels of interest, are calculated using the relativistic distorted wave method. The reliability of the model is tested by comparing the predicted results with the previous measurements. Full article
(This article belongs to the Section Atomic, Molecular and Nuclear Spectroscopy and Collisions)
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15 pages, 734 KiB  
Review
Electron and Positron Impact Ionization of Molecules
by Ladislau Nagy, István Tóth and Radu I. Campeanu
Atoms 2024, 12(8), 38; https://doi.org/10.3390/atoms12080038 - 23 Jul 2024
Cited by 1 | Viewed by 833
Abstract
We review our group’s most significant results concerning the collision of positrons and electrons with small molecules. Total and triple differential cross sections for the ionization of these targets were calculated in the distorted wave Born approximation using Gaussian molecular orbitals. Different models [...] Read more.
We review our group’s most significant results concerning the collision of positrons and electrons with small molecules. Total and triple differential cross sections for the ionization of these targets were calculated in the distorted wave Born approximation using Gaussian molecular orbitals. Different models were tested. The obtained theoretical results reproduced, in most cases, the features observed in the experimental data. Full article
(This article belongs to the Section Atomic, Molecular and Nuclear Spectroscopy and Collisions)
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