### 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 language | English (US) |
---|---|

Pages (from-to) | 181-192 |

Number of pages | 12 |

Journal | Molecular Physics |

Volume | 71 |

Issue number | 1 |

DOIs | |

State | Published - 1990 |

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### ASJC Scopus subject areas

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

### Cite this

*Molecular Physics*,

*71*(1), 181-192. https://doi.org/10.1080/00268979000101731

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

Research output: Contribution to journal › Article

*Molecular Physics*, vol. 71, no. 1, pp. 181-192. https://doi.org/10.1080/00268979000101731

}

TY - JOUR

T1 - Molecular hyperfine-structure calculations using an uncoupled representation

AU - Young, S. H.

AU - Kukolich, Stephen G

PY - 1990

Y1 - 1990

N2 - 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.

AB - 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.

UR - http://www.scopus.com/inward/record.url?scp=84947388576&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=84947388576&partnerID=8YFLogxK

U2 - 10.1080/00268979000101731

DO - 10.1080/00268979000101731

M3 - Article

AN - SCOPUS:84947388576

VL - 71

SP - 181

EP - 192

JO - Molecular Physics

JF - Molecular Physics

SN - 0026-8976

IS - 1

ER -