English

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

Atomic Physics 2022-07-14 v1

Abstract

As a continuation of Part I, dedicated to the ground state of He-like and Li-like isoelectronic sequences for nuclear charges Z20Z \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 140+1^40^+ of Li-like ions (in static approximation with point-like, infinitely heavy nuclei). Variational parameters are fitted in ZZ by 2nd degree polynomials. The most accurate ultra-compact function leads to the absolute accuracy 103\sim 10^{-3}\,a.u. for energy, and 104\sim 10^{-4} for the normalized electron-nuclear cusp parameter for Z20Z \leq 20. Critical charge Z=ZBZ=Z_B, where the ultra-compact trial function for the 140+1^40^+ state looses its square-integrability, is estimated, ZB(140+)1.261.30Z_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} 120+1^2\,0^+ of the Li-like sequence is discussed. The critical charge, for which these functions stop to be normalizable, is estimated as ZB(120+)=1.621.65Z_B( 1^2\,0^+) = 1.62 - 1.65. It implies that at Z=2Z=2 - the negative helium ion He{}^- - both states 120+1^2\,0^+ and 140+1^4\,0^+ exist as states embedded to continuum.

Keywords

Cite

@article{arxiv.2202.05774,
  title  = {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},
  author = {D. J. Nader and J. C. del Valle and J. C. Lopez Vieyra and A. V. Turbiner},
  journal= {arXiv preprint arXiv:2202.05774},
  year   = {2022}
}

Comments

29 pages, 5 figures, 2 tables