Journal of Chemical Physics, Vol.107, No.24, 10662-10666, 1997
Nonadiabatic effects in molecular adiabatic systems: Application to linear plus quadratic E circle times e system
In this publication I treat two subjects both connected to electronic nonadiabatic transitions. The first is related to the general single-state Born-Oppenheimer equation. Such an equation was recently derived by Baer and Englman [Chem. Phys. Lett. 265, 105 (1997)]; here it is derived again in a different and more instructive way. The second is related to the "linear plus quadratic Exe system". For this system we derive the adiabatic-diabatic-transformation (ADT) angle [Chem. Phys. Lett. 35, 112 (1975)] and show that it is identical to the phase factor obtained by Zwanziger and Grant. (C) 1997 American Institute of Physics.