The H$_2^+$ molecular ion: low-lying states
Abstract
Matching for a wavefunction the WKB expansion at large distances and Taylor expansion at small distances leads to a compact, few-parametric uniform approximation found in {\it J. Phys. B44, 101002 (2011)}. The ten low-lying eigenstates of H of the quantum numbers \, with at , with , and , at of both parities are explored for all interproton distances . For all these states this approximation provides the relative accuracy (not less than 5 s.d.) locally, for any real coordinate in eigenfunctions, when for total energy it gives 10-11 s.d. for ~a.u. Corrections to the approximation are evaluated in the specially-designed, convergent perturbation theory. Separation constants are found with not less than 8 s.d. The oscillator strength for the electric dipole transitions is calculated with not less than 6~s.d. A dramatic dip in the oscillator strength at is observed. The magnetic dipole and electric quadrupole transitions are calculated for the first time with not less than 6~s.d. in oscillator strength. For two lowest states (or, equivalently, and states) the potential curves are checked and confirmed in the Lagrange mesh method within 12~s.d. Based on them the Energy Gap between and potential curves is approximated with modified Pade with not less than 4-5 figures at \,a.u. Sum of potential curves is approximated by Pade in \,a.u. with not less than {3-4} figures.
Cite
@article{arxiv.1401.8009,
title = {The H$_2^+$ molecular ion: low-lying states},
author = {Horacio Olivares-Pilón and Alexander V. Turbiner},
journal= {arXiv preprint arXiv:1401.8009},
year = {2019}
}
Comments
45 pages, 10 tables, 35 figures, 33 refs., text partly rewritten, 2 tables removed, 3 figures removed but 3 added, 3 references added