Triplet-state transitions in beryllium: Accurate energies and oscillator strengths

We present highly accurate variational calculations of triplet excited states of the beryllium atom using all-electron explicitly correlated Gaussian basis sets. The employed approach that treats the electrons and the nucleus on the same footing enables precise determination of the energy spectrum, wave functions, and transition properties of low-lying ${}^{3}{S}^{e}$ and ${}^{3}{P}^{o}$ states of the naturally occurring $^{9}\mathrm{Be}$ isotope and the model ${}^{\ensuremath{\infty}}\mathrm{Be}$ system. Benchmark-quality total and transition energies, as well as oscillator strengths determined in both the length and velocity gauges, are reported. The results are compared with available theoretical and experimental data. The comparison shows excellent agreement of the present results with the experiment. They also provide refinement for the values where discrepancies had existed before.

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Publication Details

Journal
Physical review. A/Physical review, A
Published
2025-11-03
DOI
https://doi.org/10.1103/qrtf-56np
Primary Topic
Atomic and Molecular Physics
Type
article
Field-Weighted Citation Impact
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article

Triplet-state transitions in beryllium: Accurate energies and oscillator strengths

Saeed Nasiri, Sergiy Bubin, Ludwik Adamowicz
Physical review. A/Physical review, A
Atomic and Molecular Physics
article

Triplet-state transitions in beryllium: Accurate energies and oscillator strengths

Saeed Nasiri, Sergiy Bubin, Ludwik Adamowicz
article en

Abstract

We present highly accurate variational calculations of triplet excited states of the beryllium atom using all-electron explicitly correlated Gaussian basis sets. The employed approach that treats the electrons and the nucleus on the same footing enables precise determination of the energy spectrum, wave functions, and transition properties of low-lying ${}^{3}{S}^{e}$ and ${}^{3}{P}^{o}$ states of the naturally occurring $^{9}\mathrm{Be}$ isotope and the model ${}^{\ensuremath{\infty}}\mathrm{Be}$ system. Benchmark-quality total and transition energies, as well as oscillator strengths determined in both the length and velocity gauges, are reported. The results are compared with available theoretical and experimental data. The comparison shows excellent agreement of the present results with the experiment. They also provide refinement for the values where discrepancies had existed before.

Physical review. A/Physical review, AVol. 112(6)
University of Arizona (US), University of Oslo (NO), Nazarbayev University (KZ)
Openalex Percentile: Top 69%
Atomic and Molecular Physics
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