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Electronic states Born-Huang expansion

In the two-electronic-state Born-Huang expansion, the full-Hilbert space of adiabatic electronic states is approximated by the lowest two states and furnishes for the corresponding electronic wave functions the approximate closure relation... [Pg.308]

II. n-ELECTRONIC STATE ADIABATIC REPRESENTATION A. Born-Huang Expansion... [Pg.182]

The energies and are associated with the initial and final vibronic states, respectively ( (r R)i/ Fermi distribution which ensures that the initial (final) electronic state is occupied (free) at a given temperature. Note that here, in contrast with the traditional Born-Huang expansion, eqn (5), the vibrational and electronic indices are separated, since the vibronic states within a band are treated as separable. In the spirit of first-order perturbation theory, the non-adiabatic contribution of each nuclear degree of freedom is treated as an independent relaxation channel... [Pg.93]


See other pages where Electronic states Born-Huang expansion is mentioned: [Pg.72]    [Pg.76]    [Pg.84]    [Pg.99]    [Pg.284]    [Pg.296]    [Pg.319]    [Pg.394]    [Pg.201]   
See also in sourсe #XX -- [ Pg.286 , Pg.287 , Pg.288 ]

See also in sourсe #XX -- [ Pg.286 , Pg.287 , Pg.288 ]




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Electronic state adiabatic representation Born-Huang expansion

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