Ultra-Compact accurate wave functions for He-like iso-electronic sequences and variational calculus. IV. Spin-singlet states $(1s\,ns)$ $n\,{}^1 S$ family of the Helium sequence

TL;DR

This paper develops ultra-compact wave functions for spin-singlet excited states of helium-like ions, accurately describing energies for nuclear charges up to 20 and estimating critical charges where wave functions lose square-integrability.

Contribution

It introduces seven-parameter trial functions for ${}^1 S$ states, extending previous work to higher excited states and systematically estimating critical charges for wave function applicability.

Findings

Accurate energy calculations with 4-5 significant digits.

Critical charges increase slowly with principal quantum number n.

Wave functions lose square-integrability near Z ≈ 0.90-0.95.

Abstract

As a continuation of Parts I \cite{Part-1:2020}, II \cite{Part-2:2021}, III \cite{Part-3:2022}, where ultra-compact wave functions were constructed for a few low-lying states of He-like and Li-like sequences, the family of spin-singlet $(1s\,ns)$ type excited states $n\,{}^1 S$ of the He-like sequence is studied with an emphasis on the $n=3,4,5$: $3\,{}^1 S, 4\,{}^1 S, 5\,{}^1 S$ states, for nuclear charges $Z \leq 20$. Particular attention is given to finding of critical charges $Z=Z_B$ at which the ultra-compact wave functions lose their square-integrability. For each ${}^1 S$ state an ultra-compact, seven-parametric trial function is constructed, which describes the domain of applicability of the non-relativistic Quantum Mechanics of Coulomb Charges (QMCC) for the total energies (4-5 significant digits (s.d.)) and reproduces 3 decimal digits (d.d.) of the spin-singlet states $n\,{}^1 S$ of He-like ions (in the static approximation with point-like, infinitely heavy nuclei) for $n=1,2,3,\ldots$ and any $Z \leq 20$\,. All energies are well described by second degree polynomials in $Z$ (the Majorana formula). Critical charges $Z=Z_B^{(n)}$, where the ultra-compact trial function for the $n^1 S, n=1,2,3,\ldots$ states loses its square-integrability, are estimated: for all studied states $Z_B^{(n)}$ increases slowly with $n$; it seems they lie in the interval $Z_B(n^1 S) \sim 0.90 - 0.95$, in particular, with $Z_B^{(1)}=Z_B^{(2)}\,=\,0.904$, $Z_B^{(3)}=Z_B^{(4)}\,=\,0.928$, $Z_B^{(5)}\ =\ 0.939$.