Ses 3: Semiclassical Methods for Calculating Vibrational Overlap Integrals
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Description
All coupling processes are mediated by vibrational overlap integrals, which are computed numerically. Semiclassical calculation of overlaps reveals physical factors controlling computed values...
The Born-Oppenheimer approximation and matrix elements of terms in the effective molecular Hamiltonian that violate the BO approximation. Vibration, rotation, spin-orbit, interelectronic interaction. Hund's coupling cases.