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Vibrational clamped-nucleus

In the second approach, the so-called clamped-nucleus treatment, the effect of the perturbation on the electronic and nuclear motion is treated sequentially. First, the Born-Oppenheimer approximation is applied to the vibronic wavefunction of the ground state, ov ri, Rk ), which is therefore expressed as a product of an electronic wavefunction o( ri Rk ) vibrational wavefunction (. R/f )... [Pg.177]

For polyatomic molecules the electronic polarizability in the clamped-nucleus treatment is frequently expressed as the polarizability evaluated at an equilibrium geometry Rk,s plus a vibrational correction Aa ... [Pg.180]


See other pages where Vibrational clamped-nucleus is mentioned: [Pg.107]    [Pg.2]    [Pg.9]    [Pg.104]    [Pg.119]    [Pg.370]    [Pg.79]    [Pg.88]    [Pg.180]    [Pg.137]    [Pg.68]   
See also in sourсe #XX -- [ Pg.177 , Pg.180 ]




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