Pauli principle and hyperfine tensors in molecules with identical nuclei
Laboratoire de Physique Théorique de la Matière Condensée, 7020,
Université Paris 7, Denis Diderot,
2 place Jussieu, 75251 Paris cedex 05, France
Accepted: 17 December 1997
The theoretical expressions of the hyperfine tensors must be modified, for molecu les with identical nuclei in equivalent positions. We illustrate the procedure by considering molecules with half-integer identical nuclear spins in symmetry. Application of the Pauli Principle to these molecular spin systems reduces the degeneracy of the molecular excited states of electronic symmetry E. Consequently, the part of the hyperfine tensors arising from these E states (which contributes to the tensors transverse components) should be multiplied by a reduction factor of 1/4.
PACS: 31.30.Gs – Hyperfine interactions and isotope effects / 33.20.Wr – Vibronic, rovibronic, and rotation electron-spin interactions
© EDP Sciences, 1998