Explicitly correlated wave function for a boron atom

TL;DR

This paper introduces high-precision calculations for boron atom properties using explicitly correlated Gaussian basis functions, achieving near parts per million accuracy and enabling potential nuclear property investigations.

Contribution

The study develops and applies an optimized explicitly correlated Gaussian basis for boron, providing highly accurate atomic property calculations beyond previous methods.

Findings

Achieved near parts per million precision in energy levels and transition splittings.

Enabled potential spectroscopic determination of nuclear properties of boron.

Demonstrated the effectiveness of explicitly correlated Gaussian basis functions for atomic calculations.

Abstract

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 $^8$B nucleus.