Chain rule adiabatic

Reference [73] presents the first line-integral study between two excited states, namely, between the second and the third states in this series of states. Here, like before, the calculations are done for a fixed value of ri (results are reported for ri = 1.251 A) but in contrast to the previous study the origin of the system of coordinates is located at the point of this particulai conical intersection, that is, the (2,3) conical intersection. Accordingly, the two polar coordinates (adiabatic coupling term i.e. X(p (— C,2 c>(,2/ )) again employing chain rules for the transformation... 

Operator equations have been employed by George and Ross (1971) to analyse symmetry in chemical reactions. In order to preserve the identity of electronic states of reactants and products, these authors worked within a quasi-adiabatic representation of electronic motions. By introducing a chain of approximations, going from separate conservation of total electronic spin to complete neglect of dynamics, they discussed the Wigner-Witmer angular momentum correlation rules, Shuler s rules for linear molecular conformations and the Woodward-Hoffmann rules. 

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