Ultra-Compact accurate wave functions for He-like and Li-like
iso-electronic sequences and variational calculus. III. Spin-quartet
state of the Lithium sequence
Abstract
As a continuation of Part I, dedicated to the ground state of He-like
and Li-like isoelectronic sequences for nuclear charges $Z
\leq 20$, and Part II, dedicated to two excited states
of He-like sequence, two ultra-compact wave functions in the form of
generalized Guevara-Harris-Turbiner functions are constructed for
Li-like sequence. They describe accurately the domain of applicability
of the Quantum Mechanics of Coulomb Charges (QMCC) for energies (2-3
significant digits (s.d.)) of the spin-quartet state $1^40^+$ of
Li-like ions (in static approximation with point-like, infinitely heavy
nuclei). Variational parameters are fitted in $Z$ by 2nd degree
polynomials. The most accurate ultra-compact function leads to the
absolute accuracy $\sim
10^{-3}$\,a.u. for energy, and
$\sim 10^{-4}$ for the normalized electron-nuclear
cusp parameter for $Z \leq 20$. Critical charge
$Z=Z_B$, where the ultra-compact trial function for the
$1^40^+$ state looses its square-integrability, is estimated,
$Z_B(1^4\,0^+) \sim 1.26 - 1.30$.
As a complement to Part I, square integrability for the compact
functions constructed for the {\it ground, spin-doublet
state} $1^2\,0^+$ of the Li-like sequence is
discussed. The critical charge, for which these functions stop to be
normalizable, is estimated as $Z_B( 1^2\,0^+) =
1.62 - 1.65$. It implies that at $Z=2$ - the negative helium ion
He$^-$ - both states $1^2\,0^+$ and
$1^4\,0^+$ exist as states embedded to continuum.