Fine structure of the beryllium P 3 states calculated with all-electron explicitly correlated Gaussian functions
AffiliationDepartment of Chemistry and Biochemistry, University of Arizona
MetadataShow full item record
PublisherAmerican Physical Society
CitationStanke, 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.
JournalPhysical Review A
RightsCopyright © 2022 American Physical Society.
Collection InformationThis 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 email@example.com.
AbstractThe 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.
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