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Nonadiabatic dynamics in fifteen state model

We also calculated the standard deviation of state populations in the PSANB scheme, 77 (t) = [Pg.224]

To study the essential features of electronic-phase interference due to a conical intersection, we employ the same model functions as used recently [Pg.224]

In the present system the potential functions of the diabatic states 1 and 2 are defined as [Pg.226]

The profiles of potential functions are graphically presented in Fig. 6.11, showing how the conical intersection looks geometrically in the diabatic [Pg.226]

let us note the symmetric property of the potentials. The potential functions in the diabatic representation is composed of the diagonal part Fjj(R) (J = 1,2) and the off-diagonal coupling term Vi2(R) = F2i(R). As mentioned above, Fi2(R) and Vr k(R) are odd and even, respectively, with respect to the X2 = 0 axis, and therefore observe Fi2(R+(t)) =-Fi2(R7(t)) and Vkk TI t)) = Vkk Rj t)). (6.91) Next, to track the time dependent relation among the symmetrically paired trajectories, we define a mean force (MF) for the trajectories labeled with L as [Pg.228]


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