Interaction spin-orbital

Because the spin-orbit interaction is anisotropic (there is a directional dependence of the view each electron has of the relevant orbitals), the intersystem crossing rates from. S to each triplet level are different. 

In this section, the spin-orbit interaction is treated in the Breit-Pauli [13,24—26] approximation and incoi porated into the Hamiltonian using quasidegenerate perturbation theory [27]. This approach, which is described in [8], is commonly used in nuclear dynamics and is adequate for molecules containing only atoms with atomic numbers no larger than that of Kr. 

Figure 1- Representatiori of degenerate states from nonrelativistic components, (a) Degenerate zeroth-order states at (b) Spin-orbit interaction splits 11 state, (c) With full spin-orbit...

In the nonrelativistic case much has been, and continues to be, learned about the outcome of nonadiabatic processes from the locus and topography of seams of conical intersection. It will now be possible to describe nonadiabatic processes driven by conical intersections, for which the spin-orbit interaction cannot be neglected, on the same footing that has been so useful in the nonrelativistic case. This fully adiabatic approach offers both conceptual and potential computational... 

The expressions for the rotational energy levels (i.e., also involving the end-over-end rotations, not considered in the previous works) of linear triatomic molecules in doublet and triplet II electronic states that take into account a spin orbit interaction and a vibronic coupling were derived in two milestone studies by Hougen [72,32]. In them, the isomorfic Hamiltonian was inboduced, which has later been widely used in treating linear molecules (see, e.g., [55]). 

As is well known, when the electronic spin-orbit interaction is small, the total electronic wave function v / (r, s R) can be written as the product of a spatial wave function R) and a spin function t / (s). For this, we can use either... 

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