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Spin Magnetic Transition Moment

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:

    gSμBB.S

In practice the effective multipliers of the molecule fixed Sz 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 Sz and Component = 1 gives the multiplier of T1±1(S) = -±2-½S±. Spin forbidden transitions with Component ≠ 0 should be implemented using an Orbital Magnetic Moment.

Settings

Rank Rank of transition - 1 for a normal magnetic dipole transition with the Hamiltonian above.
Component Projection quantum number of transition moment - 0 for a parallel transition, 1 for a perpendicular transition.

Parameters

Strength Transition (dipole) moment in units of the Bohr magneton. Note that the relative intensity is proportional to the square of this value. The default for this value is gS = 2.0023193043622. Note that if Component = 0 this is the transition moment with Σ' > 0.