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:
In practice the effective multipliers of the
molecule fixed Sz
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.
|Rank of transition - 1 for a normal magnetic dipole
transition with the Hamiltonian above.
|Projection quantum number of transition moment - 0 for a
parallel transition, 1 for a perpendicular transition.
|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.