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 , 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 of Li-like ions (in static approximation with point-like, infinitely heavy nuclei). Variational parameters are fitted in by 2nd degree polynomials. The most accurate ultra-compact function leads to the absolute accuracy \,a.u. for energy, and for the normalized electron-nuclear cusp parameter for . Critical charge , where the ultra-compact trial function for the state looses its square-integrability, is estimated, . As a complement to Part I, square integrability for the compact functions constructed for the {\it ground, spin-doublet state} of the Li-like sequence is discussed. The critical charge, for which these functions stop to be normalizable, is estimated as . It implies that at - the negative helium ion He - both states and 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