### 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 |

### ASJC Scopus subject areas

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

## Fingerprint Dive into the research topics of 'Molecular hyperfine-structure calculations using an uncoupled representation'. Together they form a unique fingerprint.

## Cite this

Young, S. H., & Kukolich, S. G. (1990). Molecular hyperfine-structure calculations using an uncoupled representation.

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