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    Fine structure of the beryllium P 3 states calculated with all-electron explicitly correlated Gaussian functions

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    PhysRevA.105.012813.pdf
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    Author
    Stanke, M.
    Kȩdziorski, A.
    Adamowicz, L.
    Affiliation
    Department of Chemistry and Biochemistry, University of Arizona
    Issue Date
    2022
    
    Metadata
    Show full item record
    Publisher
    American Physical Society
    Citation
    Stanke, M., Kȩdziorski, A., & Adamowicz, L. (2022). Fine structure of the beryllium P 3 states calculated with all-electron explicitly correlated Gaussian functions. Physical Review A.
    Journal
    Physical Review A
    Rights
    Copyright © 2022 American Physical Society.
    Collection Information
    This item from the UA Faculty Publications collection is made available by the University of Arizona with support from the University of Arizona Libraries. If you have questions, please contact us at repository@u.library.arizona.edu.
    Abstract
    The recently presented general algorithm for calculating an atomic fine structure [Kȩdziorski et al., Chem. Phys. Lett. 751, 137476 (2020)CHPLBC0009-261410.1016/j.cplett.2020.137476] is employed to study the fine splitting of the lowest eight P3 states of beryllium, i.e., the 1s22snp, n=2, ,9, P3 states. All-electron explicitly correlated Gaussian functions and a finite-nuclear-mass variational method are used in the calculations. The energies of the states are augmented with the leading α2 relativistic and α3 (and approximate α4) QED corrections (α=1c is the fine-structure constant, and c is the speed of light in atomic units). The calculated results are compared with the available experimental data. © 2022 American Physical Society.
    Note
    Immediate access
    ISSN
    2469-9926
    DOI
    10.1103/PhysRevA.105.012813
    Version
    Final published version
    ae974a485f413a2113503eed53cd6c53
    10.1103/PhysRevA.105.012813
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    UA Faculty Publications

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