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.
ASJC Scopus subject areas
- Molecular Biology
- Physical and Theoretical Chemistry
- Condensed Matter Physics