Local frame transformation theory for two classes of diatomic molecules

T. J. Price, Chris H. Greene

Research output: Contribution to journalArticlepeer-review

1 Scopus citations


This study develops an alternative, analytical approach for computing the electronic spectra of long-range diatomic Rydberg molecules with charged atomic cores in which either each core is identical, or else one core is a bare ion with no screening. This approach involves a frame transformation between locally separable regions of the configuration space, and an analytic expression for the frame transformation matrix is derived for ∑ states. Results for 2∑ states of LiH+ 2 and LiH+ are compared with available theoretical calculations.

Original languageEnglish (US)
Pages (from-to)3171-3183
Number of pages13
JournalMolecular Physics
Issue number21
StatePublished - Nov 2 2019

All Science Journal Classification (ASJC) codes

  • Biophysics
  • Molecular Biology
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry


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