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PreprintarXiv licencearXiv

Electrical and optical dipole polarizabilities of two lowest triplet states of the beryllium atom

  • Tymoteusz Mrozek
  • Krzysztof Strasburger
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Abstract

High-accuracy static and dynamic polarizabilities of the 23Pu and 3Sg states of the neutral beryllium atom are reported. The calculations employed explicitly correlated Gaussian (ECG) basis sets, and first-order wave functions were obtained by minimization of the Hylleraas functional. The final basis sets used for the response-property calculations contained c.a. 7000-8000 functions, depending on the polarizability component and the chosen symmetry. The results cover frequencies from the static limit, ω= 0, up to the third resonance for the 23Pu state and up to the second resonance for the 33Sg state. To the best of our knowledge, these are the first calculations of dynamic and static polarizabilities for these excited states of the beryllium atom using explicitly correlated basis sets.

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Cite

BibTeXRIS
BibTeX
@misc{mrozek2026electrical,
  title = {{Electrical and optical dipole polarizabilities of two lowest triplet states of the beryllium atom}},
  author = {Tymoteusz Mrozek and Krzysztof Strasburger},
  howpublished = {arXiv},
  year = {2026},
  month = oct,
  doi = {10.48550/arxiv.2610.03901},
  eprint = {2610.03901},
  archivePrefix = {arXiv},
  url = {https://arxiv.org/abs/2610.03901},
}
RIS
TY  - UNPB
TI  - Electrical and optical dipole polarizabilities of two lowest triplet states of the beryllium atom
AU  - Tymoteusz Mrozek
AU  - Krzysztof Strasburger
PY  - 2026
DA  - 2026/10/02
PB  - arXiv
DO  - 10.48550/arxiv.2610.03901
UR  - https://arxiv.org/abs/2610.03901
AB  - High-accuracy static and dynamic polarizabilities of the 2^3P_u and ^3S_g states of the neutral beryllium atom are reported. The calculations employed explicitly correlated Gaussian (ECG) basis sets, and first-order wave functions were obtained by minimization of the Hylleraas functional. The final basis sets used for the response-property calculations contained c.a. 7000-8000 functions, depending on the polarizability component and the chosen symmetry. The results cover frequencies from the static limit, ω= 0, up to the third resonance for the 2^3P_u state and up to the second resonance for the 3^3S_g state. To the best of our knowledge, these are the first calculations of dynamic and static polarizabilities for these excited states of the beryllium atom using explicitly correlated basis sets.
ER  -