Total spin from atomic spectroscopy term symbols, e.g. neon's excited states

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SUMMARY

This discussion focuses on deducing spin-flip energies of various atoms using the NIST atomic spectra database, specifically examining the term symbols of excited states. The user explores the excited levels of B⁺ and neutral neon, questioning the implications of LS and jj coupling on quantum numbers like total spin S. It is established that while S is a good quantum number in LS coupling, it becomes ill-defined in jj coupling due to relativistic effects. The discussion seeks clarity on the quantum numbers specified by term symbols in neon's excited states and how to extract spin-flip energies from the NIST data.

PREREQUISITES
  • Understanding of LS and jj coupling in atomic physics
  • Familiarity with quantum numbers and term symbols
  • Knowledge of the NIST atomic spectra database
  • Basic principles of atomic spectroscopy
NEXT STEPS
  • Research the implications of relativistic effects on atomic term symbols
  • Study the extraction of spin-flip energies from atomic spectra
  • Explore the differences between LS and jj coupling in detail
  • Investigate the quantum numbers associated with excited states in multi-electron systems
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Physicists, chemists, and students specializing in atomic spectroscopy, particularly those interested in quantum mechanics and the analysis of atomic energy levels.

Yuli
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TL;DR
Deducing total spin from atomic spectra with unusual term symbols, like in Ne. What do these term symbols specify, and do they have a well-defined total spin, S^2?
I'm interested in deducing spin-flip energies of various atoms from the NIST atomic spectra database:

https://physics.nist.gov/PhysRefData/ASD/levels_form.html

These are the minimal energies required to go from the ground state to a state with some given total spin [tex]S[/tex] (such that the eigenvalue of the spin operator [tex]\hat{S}^2[/tex] is [tex]S(S+1)[/tex]).

This entails interpreting term symbols of excited states. For example, these are the excited levels of B⁺:

https://physics.nist.gov/cgi-bin/AS...t=on&lande_out=on&perc_out=on&biblio=on&temp=

In [tex]LS[/tex] coupling, terms like all those in the link above give [tex]S[/tex] explicitly (as well as [tex]L[/tex] and [tex]J[/tex]). For [tex]jj[/tex] coupling terms, my understanding is that these arise in large atoms where relativistic effects become significant, and [tex]S[/tex] is no longer a good quantum number, so the spin-flip energy is ill-defined.

My question is about other terms, like these in the excited levels of neutral neon:

https://physics.nist.gov/cgi-bin/AS...t=on&lande_out=on&perc_out=on&biblio=on&temp=

I believe these might be [tex]J_1 L_2[/tex] coupling terms, which separate the outermost electron from the rest and specify quantities like [tex]L_2[/tex] (orbital angular momentum of the outer electron) and [tex]J_1[/tex] (angular momentum of the other electrons). However, this seems strange, because properties of a single electron in a many-electron system, like [tex]L_2[/tex], are typically bad quantum numbers. So,

- Which quantum numbers *are* specified by term symbols like those in the excited states of Ne?
- If [tex]L_1, L_2, J_1[/tex] or [tex]J_2[/tex] are specified, aren't these bad quantum numbers? How is this reconciled?
- Do the excited states of Ne have well-defined values of [tex]S[/tex]? If so, how is it deduced? That is, how are the spin-flip energies of Ne obtained from the NIST data?
 

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