Molecule Types Linear Molecules Transition Moments | <Prev Next> |
This is appropriate for a magnetic dipole transition moment carried by the electronic spin angular momentum. In principle the Hamiltonian for this interaction of the magnetic moment of the electron spin with an external magnetic field is:
g_{S}μ_{B}B.SIn practice the effective multipliers of the molecule fixed S_{z} and S_{±} components are sometimes found to be different, so they are entered separately. Typical use involves two components, Component = 0 and Component = 1; the default with equal Strength for both gives the Hamiltonian above. The entry with Component = 0 gives the multiplier of S_{z} and Component = 1 gives the multiplier of T^{1}_{±1}(S) = -±2^{-½}S_{±}. Spin forbidden transitions with Component ≠ 0 should be implemented using an Orbital Magnetic Moment.