4.6 Article

Explicitly correlated wave function for a boron atom

Journal

PHYSICAL REVIEW A
Volume 92, Issue 6, Pages -

Publisher

AMER PHYSICAL SOC
DOI: 10.1103/PhysRevA.92.062501

Keywords

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Funding

  1. National Science Center (Poland) [2014/15/B/ST4/05022]
  2. Poznan Supercomputing and Networking Center
  3. PL-Grid Infrastructure

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We present results of high-precision calculations for a boron atom's properties using wave functions expanded in the explicitly correlated Gaussian basis. We demonstrate that the well-optimized 8192 basis functions enable a determination of energy levels, ionization potential, and fine and hyperfine splittings in atomic transitions with nearly parts per million precision. The results open a window to a spectroscopic determination of nuclear properties of boron including the charge radius of the proton halo in the B-8 nucleus.

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