Helium-like ions $(Z,e,e)$ in Lagrange Mesh method, interpolating the highly-accurate energy spectra vs. Z

Abstract

Two alternative approaches for studying Helium-like atomic ions in non-relativistic quantum mechanics are proposed: (I) a numerical approach, based on the Lagrange-mesh method which can easily reach up to 14-15 significant digits in the energy spectrum for any nuclear charge $Z$ with modest CPU time in single processor mode and (II) a highly-accurate, few-parametric interpolation formula for the energies {\it vs.} $Z$. The interpolation formula of general nature is proposed, it can be applied to the energies of any excited state of the helium-like sequence. It is based on matching the $1/Z$-expansion at large $Z$ and the Puiseux expansion with integer and half-integer powers around the so-called second critical charge $Z_B$, introduced by F and D Stillinger (1969, 1974), confirmed by the present authors in 2019 for the ground state $1^{1}S$, then revisited here, and extended to the excited states in the present work. For example for the first two spin-singlet $1^{1}S$, $2^{1}S$ and the first two spin-triplet $2^{3}S$, $3^{3}S$ states this interpolation formula with nine free parameters can reach an accuracy of 10-14 significant digits (s.d.) in the energies for any physically-relevant nuclear charge $Z$, giving absolute accuracy at large $Z$. Many results are obtained for the first time.

23 pages, 1 figure, 6 tables