FIG. 5.

The norm of the NADCs between our TDA spin-adiabats (states 4–7) at an S₁/T₂ crossing of benzaldehyde using ωB97X/6-31G^** as the magnetic field is increased in the y direction. All coordinates are given in Table S4. (Top) The norm of the real-valued component of the NADCs before and after rotation. (Middle) The norm of the imaginary components of the NADCs before and after rotation. (Bottom) The percent contribution of the imaginary component to the total norm squared of the derivative coupling. Note that before rotation (left), the phase of each adiabat is assigned randomly (but in a fixed fashion) by the Q-Chem electronic structure program for each adiabatic state; however, after rotation (right), the imaginary component is nearly zero.