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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Department of Chemistry and Biochemistry, University of ArizonaIssue Date
2022
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American Physical SocietyCitation
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
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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
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2469-9926Version
Final published versionae974a485f413a2113503eed53cd6c53
10.1103/PhysRevA.105.012813