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Modified quantum defect theory: application to analysis of high-resolution Fourier transform spectra of neutral oxygen

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Abstract

The quantum defect theory (QDT) has been successfully used to describe processes involving high-excited (Rydberg) states of atoms and molecules with a single valence electron over closed shells. This study proposes a modification of QDT to describe the low-energy excited states of a more complex atom (oxygen) which are responsible for its infrared (IR) spectrum. The radial wavefunctions of low-excited electron states include the quantum defect dependence on energy which is derived from the whole spectral series, in contrast to the highly excited Rydberg levels, whose quantum defects are determined by the individual level energies. Our method was applied to calculate the transition probabilities in the neutral oxygen spectra in discharge plasma measured using high-resolution time-resolved IR Fourier transform spectroscopy. The Boltzmann plots resulting from the experimental spectra prove that the modified QDT approach is an adequate method for calculating atomic dipole transition moments.

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Data Availability Statement

This manuscript has associated data in a data repository. [Authors’ comment: Quantitative data presented in the figures may be obtained via an electronic scan, or requested from the corresponding author.]

Abbreviations

FTS:

Fourier transform spectroscopy

GF:

Green’s function

HR:

High-resolution

IP:

Ionization potential

IR:

Infrared

QDT:

Quantum defect theory

RAGF:

Reduced–added Green’s function (see [19])

SNR:

Signal-to-noise ratio

WKB:

Wentzel–Kramers–Brillouin (quasiclassical) approximation

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Acknowledgements

This research was funded by the Russian Science Foundation (grant number 24-22-00238, https://rscf.ru/en/project/24--22-00238).

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Authors and Affiliations

  1. Voronezh State University, University Sq. 1, Voronezh, Russia, 394018

    Vladislav E. Chernov, Nikolai L. Manakov, Alexander V. Naskidashvili & Alena I. Zetkina

  2. P. G. Demidov Yaroslavl’ State University, Sovetskaya Str. 14, Yaroslavl’, Russia, 150003

    Svatopluk Civiš, Ekaterina M. Zanozina, Martin Ferus & Petr Kubelík

  3. J. Heyrovský Institute of Physical Chemistry, Academy of Sciences of the Czech Republic, Dolejškova 3, 18223, Prague 8, Czech Republic

    Alena I. Zetkina & Oxana V. Zetkina

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  1. Vladislav E. Chernov
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  2. Svatopluk Civiš
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  3. Nikolai L. Manakov
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Contributions

Conceptualization, S.C. and N.L.M.; methodology, M.F.; visualization, A.I.Z. and V.E.Ch.; writing—original draft preparation, E.M.Z.; writing—review and editing, V.E.Ch.; data curation, O.V.Z.; software, P.K.; formal analysis, A.I.Z. and A.V.N.

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Correspondence to Vladislav E. Chernov.

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Chernov, V.E., Civiš, S., Manakov, N.L. et al. Modified quantum defect theory: application to analysis of high-resolution Fourier transform spectra of neutral oxygen. Eur. Phys. J. D 78, 46 (2024). https://doi.org/10.1140/epjd/s10053-024-00837-3

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