Molecular hyperfine-structure calculations using an uncoupled representation

S. H. Young, Stephen G Kukolich

Research output: Contribution to journalArticle

Abstract

Matrix elements and a computational procedure are presented for the calculation of hyperfine splitting of rotational energy levels of a molecule containing an arbitrary number of nuclear spins. The uncoupled representation is used to obtain a more direct and unambiguous procedure. Matrix elements are given for the quadrupole, spin-spin, spin-rotation and Stark-effect interactions. Results of calculations are discussed for the case of three equivalent spins of 1=1. Example calculations are given for Stark splittings of two MASER states of acetonitrile.

Original languageEnglish (US)
Pages (from-to)181-192
Number of pages12
JournalMolecular Physics
Volume71
Issue number1
DOIs
StatePublished - 1990

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Molecular Structure
hyperfine structure
Molecular structure
Stark effect
Electron energy levels
matrices
nuclear spin
acetonitrile
Molecules
quadrupoles
energy levels
molecules
interactions

ASJC Scopus subject areas

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

Cite this

Molecular hyperfine-structure calculations using an uncoupled representation. / Young, S. H.; Kukolich, Stephen G.

In: Molecular Physics, Vol. 71, No. 1, 1990, p. 181-192.

Research output: Contribution to journalArticle

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