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Kinetic energy operator vibronic coupling

Diabatic electronic states (previously termed crude adiabatic states ) are defined as slowly varying functions of the nuclear geometry in the vicinity of the reference geometry [9-11]. The final vibronic-coupling Hamiltonian is obtained by adding the nuclear kinetic-energy operator which is assumed to be diagonal in the diabatic representation. [Pg.78]

Vibronic coupling through the nuclear kinetic energy operator f(Q) rather than through Q-dependence in the electronic transition moment can be treated in a manner that parallels our discussion of the Born-Oppenheimer approximation in diatomics (Section 3.1). The Born-Oppenheimer theory of vibronic coupling predicts that the induced transition moment will be... [Pg.248]


See other pages where Kinetic energy operator vibronic coupling is mentioned: [Pg.42]    [Pg.509]    [Pg.520]    [Pg.617]    [Pg.628]    [Pg.184]    [Pg.357]    [Pg.576]    [Pg.617]    [Pg.628]    [Pg.33]    [Pg.281]    [Pg.245]    [Pg.2662]    [Pg.6]    [Pg.5]    [Pg.291]    [Pg.506]    [Pg.432]    [Pg.267]    [Pg.367]    [Pg.293]   
See also in sourсe #XX -- [ Pg.628 , Pg.629 , Pg.630 ]




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