The ambiguities in the spin Hamiltonian formalism describing electron paramagnetic resonance spectra are discussed in terms of the uncertainty principle of quantum mechanics. The observables in the spin Hamiltonian can be defined as the invariants under transformation in the spinor basis of effective spins, or the invariants under rotation in the Cartesian frame, if the spectra are recorded in crystals or isotropic liquids, respectively. The separability of scalar, antisymmetric and tensorial components of magnetic interactions in liquids, as well as the non-separability in crystals is considered as the uncertainty in the measurements of angle and angular momentum.
ASJC Scopus subject areas
- Modelling and Simulation
- Computational Theory and Mathematics
- Computational Mathematics