TY - JOUR

T1 - Fine structure of the beryllium P 3 states calculated with all-electron explicitly correlated Gaussian functions

AU - Stanke, Monika

AU - Kȩdziorski, Andrzej

AU - Adamowicz, Ludwik

N1 - Funding Information:
This work has been supported by a grant from the National Science Foundation, Grant No. 1856702. L.A. acknowledges the support of the Centre for Advanced Study (CAS) in Oslo, Norway, which funds and hosts our research project, titled “Atto-second Quantum Dynamics Beyond the Born-Oppenheimer Approximation,” during the 2021/2022 academic year. The authors are grateful to the University of Arizona Research Computing for providing computational resources for this work.
Publisher Copyright:
© 2022 American Physical Society.

PY - 2022/1

Y1 - 2022/1

N2 - 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.

AB - 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.

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U2 - 10.1103/PhysRevA.105.012813

DO - 10.1103/PhysRevA.105.012813

M3 - Article

AN - SCOPUS:85124155227

VL - 105

JO - Physical Review A

JF - Physical Review A

SN - 2469-9926

IS - 1

M1 - 012813

ER -