Big Chemical Encyclopedia

Chemical substances, components, reactions, process design ...

Articles Figures Tables About

Correction of the Crude Adiabatic Approximation

The electronic wavefunction in the crude adiabatic approximation is defined according to Equation 1.18 at a specific nuclear configuration q and therefore it does not [Pg.7]

The same procedure gives for the eigenvalues (in second order) [Pg.8]

Expansion of A1/ in the vicinity of qg in terms of nuclear coordinates q gives [Pg.8]

In writing Equation 1.29, we have taken into account the linear terms from Equation 1.28 in second order and quadratic terms in q in first order. Correspondingly, the coefficients C, a(q) in (1.25) are expressed as (in second order) [Pg.8]


See other pages where Correction of the Crude Adiabatic Approximation is mentioned: [Pg.7]   


SEARCH



Adiabatic approximation

Adiabatic correction

Approximation, crude

The Approximations

© 2024 chempedia.info