Dipole oscillator strengths, with rigorous limits of error, for He and Li+

M. T. Anderson and F. Weinhold
Phys. Rev. A 9, 118 – Published 1 January 1974
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Abstract

Rigorous upper and lower bounds to dipole oscillator strengths have been calculated for 17 of the low-lying singlet and triplet transitions in He and Li+ using accurate Hylleraas-type wave functions of some 135-138 terms. About a third of the calculated f values can be guaranteed to 1% or better, and in the best case (Li+ 2S32P3) the bounds tighten to about 0.05%, some two orders of magnitude better than corresponding experimental determinations. By comparing with an extensive compilation of experimental results, we find the quality of the rigorous bounds to generally match or exceed that of experimental determinations, and about a dozen experiments can be ruled out entirely. Trends with respect to nuclear charge, spin multiplicity, and principal quantum number are examined, and special emphasis is given throughout to sources of uncertainty in the calculated oscillator strengths which are revealed by the error-bound formulas.

  • Received 20 August 1973

DOI:https://doi.org/10.1103/PhysRevA.9.118

©1974 American Physical Society

Authors & Affiliations

M. T. Anderson and F. Weinhold*

  • Department of Chemistry, Stanford University, Stanford, California 94305

  • *Camille and Henry Dreyfus Foundation Fellow.

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Vol. 9, Iss. 1 — January 1974

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